SCHEMBL10169266

SCHEMBL10169266

CC(C)c1ccc(C2CCN(C)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QDPR P09417 2/20 0.51
LSS P48449 1/20 0.51
HPGD P15428 1/20 0.50
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
DRD2 P14416 1/20 0.46
HTR6 P50406 1/20 0.43
TLR9 Q9NR96 1/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16980526 0.89 HPGD (0.47) QDPRLSSHPGDHTR2AHTR2C
SCHEMBL23605571 0.85 QDPR (0.49) QDPRLSSDRD2TLR9TLR8
SCHEMBL8053564 0.85 QDPR (0.53) QDPRLSSDRD2HDAC3HDAC4
SCHEMBL23959407 0.85 QDPR (0.49) QDPRLSSDRD2TLR9TLR8
SCHEMBL23605141 0.83 QDPR (0.50) QDPRLSSDRD2TLR9TLR8
SCHEMBL13392444 0.83 KCNH2 (0.49) HPGDDRD2TLR9TLR8TLR7
SCHEMBL21026530 0.81 SLC18A3 (0.50) HPGDDRD2TLR9TLR8TLR7
SCHEMBL14923996 0.80 DRD2 (0.54) LSSHPGDDRD2TLR9TLR8
SCHEMBL7239508 0.80 LSS (0.73) QDPRLSSDRD2
SCHEMBL10255530 0.80 HPGD (0.48) HPGDHTR2AHTR2C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 78 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024107393-A1 TRICYCLIC COMPOUNDS SCHRÖDINGER, INC. (US) 2024-05-23 WO disclosed
US-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2023-10-26 US disclosed
US-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2023-10-26 US disclosed
US-20230255965-A1 TRPV4 INHIBITOR AS A THERAPEUTIC AGENT FOR OCULAR DISEASES RAQUALIA PHARMA INC. (JP) 2023-08-17 US disclosed
US-20230255965-A1 TRPV4 INHIBITOR AS A THERAPEUTIC AGENT FOR OCULAR DISEASES RAQUALIA PHARMA INC. (JP) 2023-08-17 US disclosed
US-11725011-B2 Bicyclic urea kinase inhibitors and uses thereof THE GENERAL HOSPITAL CORPORATION (US) 2023-08-15 US disclosed
US-11725011-B2 Bicyclic urea kinase inhibitors and uses thereof THE GENERAL HOSPITAL CORPORATION (US) 2023-08-15 US disclosed
US-20230242519-A1 NOVEL COMPOUNDS PAKINAX PTY LTD. (AU) 2023-08-03 US disclosed
US-20230242519-A1 NOVEL COMPOUNDS PAKINAX PTY LTD. (AU) 2023-08-03 US disclosed
US-20230234959-A1 BICYCLIC UREA KINASE INHIBITORS AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2023-07-27 US disclosed
US-20150045324-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY HANMI SCIENCE CO., LTD (KR) 2015-02-12 US disclosed
US-20140228349-A1 5,7-SUBSTITUTED-IMIDAZO[1,2-C]PYRIMIDINES ARRAY BIOPHARMA, INC. 2014-08-14 US disclosed
US-20140163026-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF NERVOUS SYSTEM DISORDERS AND CANCER AFRAXIS HOLDINGS, INC. (US) 2014-06-12 US disclosed
US-20140073620-A1 VEGFR3 INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2014-03-13 US disclosed
US-8586751-B2 Nicotinamide compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2013-11-19 US disclosed
US-20130131039-A1 5,7-SUBSTITUTED-IMIDAZO[1,2-C]PYRIMIDINES AS INHIBITORS OF JAK KINASES ARRAY BIOPHARMA INC. (US) 2013-05-23 US disclosed
US-20130116213-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY HANMI SCIENCE CO., LTD. (KR) 2013-05-09 US disclosed
US-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MEYERS SQUIBB COMPANY 2012-04-05 US disclosed
US-8012965-B2 e.g. 1-(2-chloro-7-methylthieno[3,2-d]pyrimidin-4-yl)-N3-(5,7-ethano-5,7,8-trihydro-6-methyl-1,6-naphthyridin-3-yl)-1H-1,2,4-triazole-3,5-diamine; angiogenesis inhibitor, antiproliferative agent RIGEL PHARMACEUTICALS, INC. (US) 2011-09-06 US disclosed
US-20080176847-A1 BRIDGED BICYCLIC ARYL AND BRIDGED BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2008-07-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130131039-A1 5,7-SUBSTITUTED-IMIDAZO[1,2-C]PYRIMIDINES AS INHIBITORS OF JAK KINASES JAK1, JAK3, JAK2 QDPR 3415/4885LSS 2791/4885HPGD 3562/4885
US-20140228349-A1 5,7-SUBSTITUTED-IMIDAZO[1,2-C]PYRIMIDINES JAK1, JAK3, JAK2 QDPR 3263/4885LSS 2532/4885HPGD 3152/4885
US-20230242519-A1 NOVEL COMPOUNDS PAK4, PAK2, PAK1 QDPR 4377/4885LSS 4807/4885HPGD 2379/4885
US-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS NADK, BTK, NAMPT QDPR 1164/4885LSS 2406/4885HPGD 225/4885
US-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS TRPV4, TRPV1, TRPV2 QDPR 74/4885LSS 4546/4885HPGD 552/4885
US-20080176847-A1 BRIDGED BICYCLIC ARYL AND BRIDGED BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, ERBB2, TYRO3 QDPR 1708/4885LSS 1691/4885HPGD 3096/4885
US-20230255965-A1 TRPV4 INHIBITOR AS A THERAPEUTIC AGENT FOR OCULAR DISEASES TRPV4, TRPV5, TRPV2 QDPR 639/4885LSS 3686/4885HPGD 1329/4885
US-20150045324-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, FYN, TYK2 QDPR 2089/4885LSS 3402/4885HPGD 3273/4885
US-20140073620-A1 VEGFR3 INHIBITORS FLT4, FLT1, KDR QDPR 1840/4885LSS 502/4885HPGD 2175/4885
US-20230234959-A1 BICYCLIC UREA KINASE INHIBITORS AND USES THEREOF SIK1, SIK2, SIK3 QDPR 4720/4885LSS 4292/4885HPGD 2337/4885
US-11725011-B2 Bicyclic urea kinase inhibitors and uses thereof SIK1, SIK2, SIK3 QDPR 4720/4885LSS 4292/4885HPGD 2337/4885
US-20130116213-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, FYN, TYK2 QDPR 2089/4885LSS 3402/4885HPGD 3273/4885
US-20140163026-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF NERVOUS SYSTEM DISORDERS AND CANCER PAK2, PAK1, PAK6 QDPR 2068/4885LSS 4609/4885HPGD 1837/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.