SCHEMBL1901378

SCHEMBL1901378

O=C(Nc1nnc(-c2ccncc2)s1)c1cc(-c2cccnc2)nc2ccc(Cl)cc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 3/20 0.62
▸ MAPT P10636 10/20 0.61
▸ MEN1 O00255 6/20 0.61
▸ KMT2A Q03164 6/20 0.61
▸ MAPK1 P28482 1/20 0.61
▸ APOBEC3G Q9HC16 4/20 0.61
▸ KDM4E B2RXH2 2/20 0.57
▸ USP2 O75604 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ TSHR P16473 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ APOBEC3A P31941 2/20 0.56
▸ APOBEC3B Q9UH17 1/20 0.56
▸ POLB P06746 2/20 0.55
▸ GAA P10253 1/20 0.53
▸ HPGD P15428 1/20 0.51
▸ LMNA P02545 1/20 0.49
▸ XBP1 P17861 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL1898703 0.93 APOBEC3G (0.67) CYP2C9MAPTMEN1KMT2AMAPK1
SCHEMBL1901858 0.83 APOBEC3G (0.56) CYP2C9MAPTMEN1KMT2AMAPK1
SCHEMBL1901939 0.82 CYP2C9 (0.69) CYP2C9MAPTMEN1KMT2AAPOBEC3G
SCHEMBL1898383 0.82 APOBEC3G (0.77) CYP2C9MAPTMEN1KMT2AMAPK1
SCHEMBL1898793 0.79 L3MBTL1 (0.59) CYP2C9MAPTMEN1KMT2AKDM4E
SCHEMBL22543110 0.78 CYP2C9 (0.77) CYP2C9MAPTMEN1KMT2AMAPK1
SCHEMBL1899898 0.78 APOBEC3G (0.56) CYP2C9MAPTMEN1KMT2AMAPK1
SCHEMBL19475274 0.77 ALDH1A1 (0.71) CYP2C9MAPTMEN1KMT2AMAPK1
SCHEMBL1898854 0.77 MAPT (0.74) CYP2C9MAPTMEN1KMT2AAPOBEC3G
SCHEMBL22543378 0.76 KMT2A (0.79) CYP2C9MAPTMEN1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2325181-B1 STAT3 INHIBITOR CONTAINING QUINOLINECARBOXAMIDE DERIVATIVE AS ACTIVE INGREDIENT GENERAL INCORPORATED ASS PHARMA VALLEY PROJECT SUPPORTING ORGANIZATION (JP) 2017-03-29 — — EP disclosed
US-8466290-B2 STAT3 inhibitor containing quinolinecarboxamide derivative as active ingredient PHARMA IP GENERAL INCORPORATED ASSOCIATION (JP) 2013-06-18 — — US disclosed
US-20110172429-A1 STAT3 INHIBITOR CONTAINING QUINOLINECARBOXAMIDE DERIVATIVE AS ACTIVE INGREDIENT PHARMA IP GENERAL INCORPORATED ASSOCIATION (JP) 2011-07-14 — — US disclosed
EP-2325181-A1 STAT3 INHIBITOR CONTAINING QUINOLINECARBOXAMIDE DERIVATIVE AS ACTIVE INGREDIENT Pharma Ip General Incorporated Association (JP) 2011-05-25 — — EP 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 (1 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-20110172429-A1 STAT3 INHIBITOR CONTAINING QUINOLINECARBOXAMIDE DERIVATIVE AS ACTIVE INGREDIENT STAT3, STAT4, STAT5B CYP2C9 2835/4885MAPT 4208/4885MEN1 4247/4885

“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.

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