SCHEMBL463190

SCHEMBL463190

CCc1c(C)ncnc1C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.39
DBF4 Q9UBU7 1/20 0.39
NOS3 P29474 1/20 0.38
NOS2 P35228 1/20 0.38
KDM5B Q9UGL1 1/20 0.33
NOTUM Q6P988 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL855372 0.83 ALDH1A1 (0.39) CDC7DBF4NOS3NOS2MEN1
SCHEMBL13848218 0.83 NOS3 (0.32) CDC7DBF4NOS3NOS2
SCHEMBL23264082 0.79 GCGR (0.37) NOS3NOS2
SCHEMBL24262442 0.79 YTHDC1 (0.39) CDC7DBF4NOS3NOS2MEN1
SCHEMBL25463299 0.79 PDPK1 (0.36) NOS3NOS2MEN1KMT2AALDH1A1
SCHEMBL23264073 0.79 ALDH1A1 (0.38) NOS3NOS2NOTUMALDH1A1HPGD
SCHEMBL25467306 0.79 CYP1A2 (0.37) NOS3NOS2MEN1KMT2AALDH1A1
SCHEMBL21895750 0.78 SMN1; SMN2 (0.41) MEN1KMT2AALDH1A1
SCHEMBL20196815 0.76 CHRM4 (0.34)
SCHEMBL14367975 0.76 KDM5B (0.31) KDM5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230257398-A1 PYRIMIDINE-BASED TRICYCLIC COMPOUND AND USE THEREOF CHIA TAL TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-08-17 US disclosed
EP-3390387-B1 HETEROARYLBENZIMIDAZOLE COMPOUNDS Bayer Pharma AG (DE) 2021-11-17 EP disclosed
EP-3558955-B1 BENZISOTHIAZOLE, ISOTHIAZOLO[3,4-B]PYRIDINE, QUINAZOLINE, PHTHALAZINE, PYRIDO[2,3-D]PYRIDAZINE AND PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS FOR TREATING LUNG, PANCREATIC OR COLORECTAL CANCER AMGEN INC (US) 2021-08-11 EP disclosed
US-20200055845-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2020-02-20 US disclosed
EP-2651899-B1 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2017-05-31 EP disclosed
US-9527843-B2 Heteroaromatic compounds and their use as dopamine D1 ligands PFIZER INC. (US) 2016-12-27 US disclosed
US-20160060262-A1 Substituted 6,6-Fused Nitrogenous Heterocyclic Compounds and Uses Thereof GENENTECH, INC. (US) 2016-03-03 US disclosed
US-9206175-B2 Substituted 6,6-fused nitrogenous heterocyclic compounds and uses thereof GENENTECH, INC. (US) 2015-12-08 US disclosed
US-20150344474-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER INC. (US) 2015-12-03 US disclosed
US-9067921-B2 Piperazinylpiperidine derivatives as chemokine receptor antagonists INCYTE CORPORATION (US) 2015-06-30 US disclosed
US-20120065397-A1 PREPARATION OF KETONE AMIDES Scherimg Corporation (US) 2012-03-15 US disclosed
US-8114879-B2 4-piperazine-4-piperidine-1-ketone derivatives; graft v. host disease, arthritis, rheumatoid arthritis, inflammatory bowel disease, atopic dermatitis, psoriasis, asthma, allergies or multiple sclerosis; human immunodeficiency viricides SCHERING CORPORATION (US) 2012-02-14 US disclosed
US-7884107-B2 Human Double Minute 2 (HDM2) protein inhibitors; anticancer agents MERCK (US) 2011-02-08 US disclosed
US-7759487-B2 Preparation of ketone amides SCHERING CORPORATION (US) 2010-07-20 US disclosed
US-20100029939-A1 PREPARATION OF KETONE AMIDES SCHERING CORPORATION 2010-02-04 US disclosed
US-7442703-B2 Piperidine derivatives useful as CCR5 antagonists SCHERING CORPORATION (US) 2008-10-28 US disclosed
US-20080188485-A1 PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS SCHERING CORPORATION 2008-08-07 US disclosed
US-20080095740-A1 PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS SCHERING CORPORATION 2008-04-24 US disclosed
US-7307081-B2 Piperidine derivatives useful as CCR5 antagonists SCHERING CORPORATION (US) 2007-12-11 US disclosed
US-7276617-B2 Organometallic complex, luminescent solid, organic EL element and organic EL display FUJIFILM CORPORATION (JP) 2007-10-02 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 (8 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-20150344474-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS DRD1, DRD2, DRD3 CDC7 2936/4885DBF4 3632/4885NOS3 1445/4885
US-20080188485-A1 PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS CCR5, CXCR3, CCR2 CDC7 4220/4885DBF4 3084/4885NOS3 436/4885
US-20230257398-A1 PYRIMIDINE-BASED TRICYCLIC COMPOUND AND USE THEREOF TYMP, TYMS, DPYD CDC7 850/4885DBF4 1314/4885NOS3 4364/4885
US-20160060262-A1 Substituted 6,6-Fused Nitrogenous Heterocyclic Compounds and Uses Thereof XDH, CYP2B6, COX6B1 CDC7 2730/4885DBF4 1023/4885NOS3 50/4885
US-20100029939-A1 PREPARATION OF KETONE AMIDES CCR5, CCR2, ACKR3 CDC7 1752/4885DBF4 2081/4885NOS3 1604/4885
US-20120065397-A1 PREPARATION OF KETONE AMIDES CCR5, CCR2, ACKR3 CDC7 1752/4885DBF4 2081/4885NOS3 1604/4885
US-20080095740-A1 PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS CCR5, CXCR3, CCR1 CDC7 4433/4885DBF4 2549/4885NOS3 736/4885
US-20200055845-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS CDC7 752/4885DBF4 2490/4885NOS3 4864/4885

“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.