SCHEMBL559673

SCHEMBL559673

Brc1cccc2cncnc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.48
BACE1 P56817 1/20 0.44
TRPV1 Q8NER1 2/20 0.43
NOS1 P29475 1/20 0.39
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
TOP2A P11388 1/20 0.32
TOP2B Q02880 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL3074807 0.80 EGFR (0.50) EGFRTRPV1PIK3CDPIK3CALMNA
SCHEMBL2008884 0.77 CYP3A4 (0.47) EGFRTRPV1PIK3CDPIK3CALMNA
SCHEMBL276425 0.77 EGFR (0.47) EGFRTRPV1PIK3CDPIK3CALMNA
SCHEMBL10765869 0.77 EGFR (0.47) EGFRTRPV1NOS1PIK3CDPIK3CA
SCHEMBL2008880 0.77 EGFR (0.47) EGFRTRPV1PIK3CDPIK3CALMNA
SCHEMBL276426 0.77 METAP2 (0.55) EGFRTRPV1LMNARAB9AKDM4E
SCHEMBL13857915 0.77 PSMD14 (0.55) EGFRTRPV1PIK3CDPIK3CALMNA
SCHEMBL7989490 0.77 EGFR (0.47) EGFRTRPV1PIK3CDPIK3CALMNA
SCHEMBL12747762 0.77 EGFR (0.47) EGFRTRPV1PIK3CDPIK3CALMNA
SCHEMBL3825075 0.77 EGFR (0.47) EGFRTRPV1PIK3CDPIK3CALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12234244-B2 Substituted piperazines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2025-02-25 US disclosed
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 US disclosed
WO-2024249817-A1 TRICYCLIC PKMYT1 KINASE INHIBITORS ENLIVEN INC. (US) 2024-12-05 WO disclosed
US-20240352028-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2024-10-24 US disclosed
WO-2024112201-A1 DNA GYRASE INHIBITORS UNIVERSITEIT LEIDEN (NL) 2024-05-30 WO disclosed
US-20240043441-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2024-02-08 US disclosed
US-11878985-B2 Substituted quinazolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2024-01-23 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-20230212183-A9 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-07-06 US disclosed
US-20100261724-A1 HETEROCYCLE PHENYL AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK SHARP & DOHME LLC 2010-10-14 US disclosed
EP-2212291-A1 HETEROCYCLE PHENYL AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2010-08-04 EP disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 US disclosed
WO-2009054984-A1 HETEROCYCLE PHENYL AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK & CO., INC. (US) 2009-04-30 WO disclosed
EP-2024342-A2 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS Pfizer Products Incorporated (US) 2009-02-18 EP disclosed
WO-2007125405-A2 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-08 WO disclosed
EP-0966442-B1 QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING CORTICOTROPIN RELEASING FACTOR (CRF) ANTAGONIST ACTIVITY DUPHAR INT RES (NL) 2006-12-20 EP disclosed
US-6350750-B1 TREATMENT OF STRESS-RELATED DISORDERS; ARYLATION WITH BORONIC ACID DERIVATIVE, AMINATION DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 2002-02-26 US disclosed
EP-0966442-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING CORTICOTROPIN RELEASING FACTOR (CRF) ANTAGONIST ACTIVITY DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1999-12-29 EP disclosed
WO-1999012908-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING CORTICOTROPIN RELEASING FACTOR (CRF) ANTAGONIST ACTIVITY DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1999-03-18 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-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 EGFR 455/4885BACE1 943/4885TRPV1 1044/4885
US-12234244-B2 Substituted piperazines as inhibitors of KRAS G12C KRAS, NRAS, HRAS EGFR 235/4885BACE1 1980/4885TRPV1 3523/4885
US-11878985-B2 Substituted quinazolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS EGFR 262/4885BACE1 1090/4885TRPV1 4718/4885
US-20240352028-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS EGFR 262/4885BACE1 1090/4885TRPV1 4718/4885
US-20230212183-A9 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS EGFR 180/4885BACE1 483/4885TRPV1 4703/4885
US-20100261724-A1 HETEROCYCLE PHENYL AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS CACNA1G, CACNA1H, CACNA1I EGFR 4522/4885BACE1 1031/4885TRPV1 14/4885
US-20240043441-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS EGFR 180/4885BACE1 483/4885TRPV1 4703/4885
US-20230303586-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS EGFR 180/4885BACE1 483/4885TRPV1 4703/4885
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 EGFR 656/4885BACE1 4464/4885TRPV1 3916/4885

“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.