SCHEMBL3909780

SCHEMBL3909780

CCOc1cc2ncc(N[C@H](C)c3ccccc3)nc2cc1OCC

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 4/20 0.48
KRAS P01116 3/20 0.48
PDGFRB P09619 3/20 0.47
PDGFRA P16234 3/20 0.47
NUDT1 P36639 1/20 0.45
EGFR P00533 4/20 0.43
HTR7 P34969 5/20 0.41
MAP4K4 O95819 1/20 0.41
LDHA P00338 1/20 0.40
LDHB P07195 1/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL3916872 1.00 SOS1 (0.48) SOS1KRASPDGFRBPDGFRANUDT1
SCHEMBL3911842 0.79 PDGFRB (0.74) PDGFRBPDGFRAEGFRLMNAL3MBTL1
SCHEMBL13049097 0.76 NUDT1 (0.47) PDGFRBPDGFRANUDT1HTR7MAP4K4
SCHEMBL3910327 0.76 PDGFRB (0.78) PDGFRBPDGFRAEGFRLMNAL3MBTL1
SCHEMBL18171887 0.76 NUDT1 (0.47) PDGFRBPDGFRANUDT1EGFRMAP4K4
SCHEMBL780421 0.76 NUDT1 (0.47) PDGFRBPDGFRANUDT1EGFRMAP4K4
SCHEMBL27851794 0.76 NUDT1 (0.47) PDGFRBPDGFRANUDT1EGFRMAP4K4
SCHEMBL20572297 0.72 LATS1 (0.47) SOS1KRASNUDT1EGFRLDHA
SCHEMBL783340 0.72 LATS1 (0.47) SOS1KRASNUDT1EGFRLDHA
SCHEMBL780504 0.72 LATS1 (0.47) SOS1KRASNUDT1EGFRLDHA

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030144284-A1 Heterocyclic imines such as 2-anilino-6-quinoxalinol, used to suppress cell proliferation, differentiation, chemotaxis and/or activation; prophylaxis of restinosis; anticarcinogenic agents AVENTIS PHARMACEUTICALS INC. 2003-07-31 US claimed
US-6159978-A Quinoline and quinoxaline compounds which inhibit platelet-derived growth factor and/or p56lck tyrosine kinases AVENTIS PHARMACEUTICALS PRODUCT, INC. (US) 2000-12-12 US claimed
EP-0991628-A4 QUINOLINE AND QUINOXALINE COMPOUNDS WHICH INHIBIT PLATELET-DERIVED GROWTH FACTOR AND/OR P56?lck TYROSINE KINASES RHONE POULENC RORER PHARMA (US) 2000-07-26 EP claimed
EP-0991628-A1 QUINOLINE AND QUINOXALINE COMPOUNDS WHICH INHIBIT PLATELET-DERIVED GROWTH FACTOR AND/OR P56?lck TYROSINE KINASES RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 2000-04-12 EP claimed
WO-1998054156-A1 QUINOLINE AND QUINOXALINE COMPOUNDS WHICH INHIBIT PLATELET-DERIVED GROWTH FACTOR AND/OR P56lck TYROSINE KINASES RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1998-12-03 WO claimed
US-7550597-B2 Quinoline and quinoxaline compounds which inhibit platelet-derived growth factor and/or p56lck tyrosine kinases AVENTIS PHARMACEUTICALS, INC. (US) 2009-06-23 US disclosed
US-20050182054-A1 Quinoline and quinoxaline compounds which inhibit platelet-derived growth factor and/or p56lck tyrosine kinases AVENTIS PHARMACEUTICALS INC. (US) 2005-08-18 US disclosed
US-6846815-B2 Quinoline and quinoxaline compounds which inhibit platelet-derived growth factor and/or p56lck tyrosine kinases AVENTIS PHARMACEUTICALS INC. (US) 2005-01-25 US disclosed
US-20030144284-A1 Heterocyclic imines such as 2-anilino-6-quinoxalinol, used to suppress cell proliferation, differentiation, chemotaxis and/or activation; prophylaxis of restinosis; anticarcinogenic agents AVENTIS PHARMACEUTICALS INC. 2003-07-31 US disclosed
US-6524347-B1 Quinoline and quinoxaline compounds which inhibit platelet-derived growth factor and/or p56lck tyrosine kinases AVANTIS PHARMACEUTICALS INC. 2003-02-25 US disclosed
US-6159978-A Quinoline and quinoxaline compounds which inhibit platelet-derived growth factor and/or p56lck tyrosine kinases AVENTIS PHARMACEUTICALS PRODUCT, INC. (US) 2000-12-12 US disclosed
EP-0991628-A4 QUINOLINE AND QUINOXALINE COMPOUNDS WHICH INHIBIT PLATELET-DERIVED GROWTH FACTOR AND/OR P56?lck TYROSINE KINASES RHONE POULENC RORER PHARMA (US) 2000-07-26 EP disclosed
EP-0991628-A1 QUINOLINE AND QUINOXALINE COMPOUNDS WHICH INHIBIT PLATELET-DERIVED GROWTH FACTOR AND/OR P56?lck TYROSINE KINASES RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 2000-04-12 EP disclosed
WO-1998054156-A1 QUINOLINE AND QUINOXALINE COMPOUNDS WHICH INHIBIT PLATELET-DERIVED GROWTH FACTOR AND/OR P56lck TYROSINE KINASES RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1998-12-03 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 (2 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-20050182054-A1 Quinoline and quinoxaline compounds which inhibit platelet-derived growth factor and/or p56lck tyrosine kinases LCK, LTK, ABL1 SOS1 2567/4885KRAS 982/4885PDGFRB 39/4885
US-20030144284-A1 Heterocyclic imines such as 2-anilino-6-quinoxalinol, used to suppress cell proliferation, differentiation, chemotaxis and/or activation; prophylaxis of restinosis; anticarcinogenic agents LCK, NFATC1, MAP2K2 SOS1 2449/4885KRAS 1099/4885PDGFRB 106/4885

“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.