SCHEMBL2664632

SCHEMBL2664632

CN1CCn2ccnc2C1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.36
SCD5 Q86SK9 1/20 0.36
P2RX7 Q99572 1/20 0.35
LRRK2 Q5S007 2/20 0.34
VNN1 O95497 1/20 0.33
NAMPT P43490 1/20 0.33
ADRA1A P35348 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM3 P20309 1/20 0.33
ADRA1D P25100 1/20 0.33
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32

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
SCHEMBL25043599 0.82 ADRA1A (0.37) ADRA1A
SCHEMBL25043600 0.76 LMNA (0.35) SCDSCD5P2RX7LRRK2VNN1
SCHEMBL18123343 0.75 SCD (0.36) SCDSCD5P2RX7LRRK2VNN1
SCHEMBL3747911 0.75 SCD (0.39) SCDSCD5P2RX7LRRK2VNN1
SCHEMBL22916888 0.75 SCD (0.36) SCDSCD5P2RX7LRRK2VNN1
SCHEMBL436995 0.75 P2RX7 (0.36) SCDSCD5P2RX7LRRK2VNN1
SCHEMBL6369633 0.75 SCD (0.36) SCDSCD5P2RX7LRRK2VNN1
SCHEMBL19286500 0.72 P2RX7 (0.34) SCDSCD5P2RX7VNN1NAMPT
SCHEMBL18843016 0.72 P2RX7 (0.34) SCDSCD5P2RX7VNN1NAMPT
SCHEMBL12332203 0.72 SCD (0.49) SCDSCD5P2RX7VNN1NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4400497-A1 3CLPRO PROTEASE INHIBITOR Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) 2024-07-17 EP disclosed
WO-2024081345-A1 BENZOPYRIMIDIN-4(3H)-ONES AS PI3K INHIBITORS ONKURE, INC. (US) 2024-04-18 WO disclosed
US-20240018120-A1 MAGL INHIBITORS H. LUNDBECK A/S (DK) 2024-01-18 US disclosed
WO-2023247595-A1 PYRAZOLOPYRAZINE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2023-12-28 WO disclosed
WO-2023247590-A1 TRIAZOLOPYRIDINE AND BENZOISOXAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2023-12-28 WO disclosed
WO-2023239710-A1 BENZOPYRIMIDIN-4(3H)-ONES AS PI3K INHIBITORS ONKURE, INC. (US) 2023-12-14 WO disclosed
US-20230365605-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-11-16 US disclosed
US-20230365605-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-11-16 US disclosed
US-11806346-B2 HTT modulators for treating Huntington's disease CHDI FOUNDATION, INC. (US) 2023-11-07 US disclosed
US-20230295167-A1 POTENT AND SELECTIVE INHIBITORS OF HER2 DANA-FARBER CANCER INSTITUTE, INC. 2023-09-21 US disclosed
US-7273868-B2 Pyrazine derivatives TANABE SEIYAKU CO., LTD. (JP) 2007-09-25 US disclosed
US-7273868-B2 Pyrazine derivatives TANABE SEIYAKU CO., LTD. (JP) 2007-09-25 US disclosed
US-20070142392-A1 Uses of rifamycins ACTIVBIOTICS, INC. (US) 2007-06-21 US disclosed
US-7220736-B2 Pyrimidine compounds TANABE SEIYAKU CO., LTD. (JP) 2007-05-22 US disclosed
US-7220736-B2 Pyrimidine compounds TANABE SEIYAKU CO., LTD. (JP) 2007-05-22 US disclosed
EP-1219609-B1 AROMATIC NITROGENOUS SIX-MEMBERED RING COMPOUNDS TANABE SEIYAKU CO (JP) 2007-04-04 EP disclosed
EP-1757591-A1 CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-02-28 EP disclosed
EP-1366760-A1 TABLETS QUICKLY DISINTEGRATED IN ORAL CAVITY TANABE SEIYAKU CO., LTD. (JP) 2003-12-03 EP disclosed
EP-1277741-A1 CYCLIC COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2003-01-22 EP disclosed
WO-2001044249-A1 TRIAZOLO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2001-06-21 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 (5 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-20070142392-A1 Uses of rifamycins TNF, TLR6, IL6 SCD 4587/4885SCD5 4091/4885P2RX7 443/4885
US-20240018120-A1 MAGL INHIBITORS MAG, MAGI3, MAGT1 SCD 1653/4885SCD5 1918/4885P2RX7 3880/4885
US-20230295167-A1 POTENT AND SELECTIVE INHIBITORS OF HER2 ERBB2, EGFR, ERBB3 SCD 2203/4885SCD5 2792/4885P2RX7 4247/4885
US-20230365605-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF SOST, SOS1, SOS2 SCD 3958/4885SCD5 4044/4885P2RX7 874/4885
US-11806346-B2 HTT modulators for treating Huntington's disease HTT, HYPK, ATXN2 SCD 2384/4885SCD5 3287/4885P2RX7 4334/4885

“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.