SCHEMBL1897991

SCHEMBL1897991

O=C(Nc1nnc(Br)s1)c1cc(-c2ccccc2)nc2ccccc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.72
▸ ALDH1A1 P00352 3/20 0.72
▸ KDM4E B2RXH2 2/20 0.72
▸ HPGD P15428 2/20 0.72
▸ CYP2C9 P11712 1/20 0.72
▸ CYP2C19 P33261 1/20 0.72
▸ LMNA P02545 4/20 0.69
▸ HTT P42858 3/20 0.69
▸ GAA P10253 2/20 0.69
▸ CYP3A4 P08684 2/20 0.65
▸ MEN1 O00255 5/20 0.64
▸ KMT2A Q03164 5/20 0.64
▸ THRB P10828 1/20 0.62
▸ GFER P55789 1/20 0.60
▸ APOBEC3A P31941 1/20 0.60
▸ APOBEC3G Q9HC16 1/20 0.60
▸ APOBEC3B Q9UH17 1/20 0.60
▸ PTGER4 P35408 1/20 0.59
▸ STAT3 P40763 1/20 0.58
▸ ME2 P23368 1/20 0.58

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
SCHEMBL1898854 0.89 MAPT (0.74) MAPTALDH1A1KDM4EHPGDCYP2C9
SCHEMBL1898383 0.84 APOBEC3G (0.77) MAPTALDH1A1KDM4EHPGDCYP2C9
SCHEMBL13621738 0.84 MAPT (0.80) MAPTALDH1A1KDM4EHPGDCYP2C9
SCHEMBL1901939 0.82 CYP2C9 (0.69) MAPTALDH1A1KDM4EHPGDCYP2C9
SCHEMBL1901542 0.82 L3MBTL1 (0.73) MAPTALDH1A1KDM4EHPGDCYP2C9
SCHEMBL1900463 0.81 TDP1 (0.73) MAPTALDH1A1KDM4EHPGDCYP2C9
SCHEMBL14970875 0.79 CYP3A4 (1.00) MAPTALDH1A1KDM4EHPGDCYP2C9
SCHEMBL1899183 0.78 MAPT (0.59) MAPTALDH1A1KDM4EHPGDCYP2C9
SCHEMBL14970816 0.77 ALDH1A1 (0.65) MAPTALDH1A1KDM4EHPGDCYP2C9
SCHEMBL5836047 0.77 ALDH1A1 (0.63) MAPTALDH1A1KDM4EHPGDCYP2C9

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 MAPT 4208/4885ALDH1A1 3308/4885KDM4E 532/4885

“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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