SCHEMBL12247

SCHEMBL12247

Cc1ccc2c(C)n[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITK Q08881 7/20 0.53
ADORA2A P29274 1/20 0.48
ADORA2B P29275 1/20 0.48
KIF11 P52732 2/20 0.44
MAP2K4 P45985 4/20 0.43
MAPK1 P28482 2/20 0.43
MAPKAPK3 Q16644 2/20 0.43
MAPK6 Q16659 2/20 0.43
MAPKAPK2 P49137 1/20 0.43
MAPKAPK5 Q8IW41 1/20 0.43
CYP1A2 P05177 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CHEK1 O14757 1/20 0.40
MAP2K7 O14733 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
SCHEMBL31552439 1.00 ITK (0.53) ITKADORA2AADORA2BKIF11MAP2K4
SCHEMBL14397096 0.84 PDPK1 (0.53) ADORA2AADORA2BMAP2K4MAPK1MAPKAPK3
SCHEMBL12222 0.83 MAP2K4 (0.57) ITKADORA2AADORA2BMAP2K4MAPK1
SCHEMBL29769133 0.83 MAP2K4 (0.57) ITKADORA2AADORA2BMAP2K4MAPK1
SCHEMBL497271 0.81 PDPK1 (0.60) ITK
SCHEMBL27805303 0.80 KDR (0.47) ITKADORA2AADORA2BCHEK1
SCHEMBL17547093 0.79 ITK (0.50) ITKKIF11MAP2K4MAPK1MAPKAPK3
SCHEMBL176952 0.79 PDPK1 (0.59) ITKADORA2AADORA2BMAP2K4MAPK1
SCHEMBL588513 0.79 AXL (0.50) ADORA2AADORA2BCYP1A2
SCHEMBL21937470 0.79 ADORA2A (0.46) ITKADORA2AADORA2BMAP2K4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024039858-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF OLEMA PHARMACEUTICALS, INC. (US) 2024-02-22 WO disclosed
EP-4310084-A1 PYRIDOPYRIMIDINE-BASED COMPOUND AND APPLICATION THEREOF Jinan University (CN) 2024-01-24 EP disclosed
WO-2024006379-A1 METHODS AND COMPOUNDS FOR INHIBITING MKK7 ENZYMES AXONIS THERAPEUTICS, INC. (US) 2024-01-04 WO disclosed
US-11858907-B2 Kinase modulators RHIZEN PHARMACEUTICALS AG (CH) 2024-01-02 US disclosed
US-11807644-B2 Methods and compounds for restoring mutant p53 function PMV PHARMACEUTICALS, INC. (US) 2023-11-07 US disclosed
US-20230303586-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-09-28 US disclosed
US-20230303586-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-09-28 US disclosed
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ALTAVANT SCIENCES GMBH 2023-09-19 US disclosed
US-11667667-B2 Steroid derivative FXR agonist CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-06-06 US disclosed
US-11667667-B2 Steroid derivative FXR agonist CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-06-06 US disclosed
US-20100216777-A1 AMINOPYRAZINE ANALOGS FOR TREATING GLAUCOMA AND OTHER RHO KINASE-MEDIATED DISEASES AND CONDITIONS ALCON, INC. (CH) 2010-08-26 US disclosed
EP-2218716-A1 METHOD FOR AMPLIFYING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND Nissan Chemical Industries, Ltd. (JP) 2010-08-18 EP disclosed
US-20100190770-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2010-07-29 US disclosed
WO-2010050445-A1 BICYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2010-05-06 WO disclosed
US-20090192154-A1 SULTAM DERIVATIVES ASAHI KASEI PHARMA CORPORATION (JP) 2009-07-30 US disclosed
WO-2009026107-A1 PROTEIN KINASE INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2009-02-26 WO disclosed
US-20070203196-A1 METHODS OF PREPARING INDAZOLE COMPOUNDS AGOURON PHARMACEUTICALS, INC. 2007-08-30 US disclosed
US-7232910-B2 Methods of preparing indazole compounds AGOURON PHARMACEUTICALS, INC. (US) 2007-06-19 US disclosed
WO-2007042299-A1 PYRROLOPYRIMIDINE DERIVATIVES AS SYK INHIBITORS GLAXO GROUP LIMITED (GB) 2007-04-19 WO disclosed
WO-2004052847-A2 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-06-24 WO 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 (9 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-20070203196-A1 METHODS OF PREPARING INDAZOLE COMPOUNDS CDK1, CDK2, CCNI ITK 954/4885ADORA2A 2261/4885ADORA2B 3031/4885
US-20100190770-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 ITK 899/4885ADORA2A 3941/4885ADORA2B 4121/4885
US-20100216777-A1 AMINOPYRAZINE ANALOGS FOR TREATING GLAUCOMA AND OTHER RHO KINASE-MEDIATED DISEASES AND CONDITIONS ROCK2, ROCK1, RHOA ITK 1108/4885ADORA2A 997/4885ADORA2B 1809/4885
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A ITK 4009/4885ADORA2A 578/4885ADORA2B 1456/4885
US-11807644-B2 Methods and compounds for restoring mutant p53 function TP53, TP53BP1, HRAS ITK 4341/4885ADORA2A 2768/4885ADORA2B 3974/4885
US-11667667-B2 Steroid derivative FXR agonist NR1H4, SLC10A1, FXR1 ITK 2275/4885ADORA2A 1725/4885ADORA2B 1387/4885
US-11858907-B2 Kinase modulators RPS6KA1, RPS6KA2, PRKAR2A ITK 1626/4885ADORA2A 1129/4885ADORA2B 2160/4885
US-20230303586-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ITK 3429/4885ADORA2A 2137/4885ADORA2B 584/4885
US-20090192154-A1 SULTAM DERIVATIVES SULT1A1, SULT2A1, ADAMTS1 ITK 4505/4885ADORA2A 3590/4885ADORA2B 3168/4885

“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.