SCHEMBL1896591

SCHEMBL1896591

O=C(Nc1nnc(-c2cccnc2)o1)c1cc(-c2ccccc2)nc2ccccc12

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 7/20 0.82
CYP2C9 P11712 3/20 0.68
MEN1 O00255 4/20 0.68
KMT2A Q03164 4/20 0.68
HTT P42858 3/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
LMNA P02545 3/20 0.68
KDM4E B2RXH2 3/20 0.68
TDP1 Q9NUW8 2/20 0.68
ALDH1A1 P00352 3/20 0.65
MAPT P10636 3/20 0.65
MAPK1 P28482 2/20 0.65
HCRTR1 O43613 1/20 0.65
GLA P06280 1/20 0.65
HPGD P15428 1/20 0.65
DHODH Q02127 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.59
GAA P10253 1/20 0.57
EGFR P00533 1/20 0.57
PTGS2 P35354 1/20 0.57

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
SCHEMBL1898948 0.90 STAT3 (1.00) STAT3MEN1KMT2AHTTSMN1; SMN2
SCHEMBL1899304 0.89 STAT3 (0.86) STAT3CYP2C9MEN1KMT2AHTT
SCHEMBL15015470 0.84 STAT3 (0.88) STAT3MEN1KMT2AHTTSMN1; SMN2
SCHEMBL1900917 0.84 STAT3 (1.00) STAT3MEN1KMT2AHTTSMN1; SMN2
SCHEMBL1903465 0.84 STAT3 (0.80) STAT3CYP2C9MEN1KMT2AHTT
SCHEMBL1899362 0.84 STAT3 (1.00) STAT3MEN1KMT2AHTTSMN1; SMN2
SCHEMBL1898939 0.82 STAT3 (0.82) STAT3MEN1KMT2AHTTSMN1; SMN2
SCHEMBL1900515 0.82 STAT3 (0.74) STAT3
SCHEMBL1899281 0.82 STAT3 (0.78) STAT3MEN1KMT2AHTTSMN1; SMN2
SCHEMBL1899809 0.82 STAT3 (1.00) STAT3MEN1KMT2AHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220218693-A1 IMMUNE CHECKPOINT INHIBITOR COMBINATION THERAPY USING QUINOLINE CARBOXAMIDE DERIVATIVE KABUSHIKI KAISHA YAKULT HONSHA (JP) 2022-07-14 US disclosed
EP-3960199-A1 IMMUNE CHECKPOINT INHIBITOR COMBINATION THERAPY USING QUINOLINE CARBOXAMIDE DERIVATIVE Kabushiki Kaisha Yakult Honsha (JP) 2022-03-02 EP disclosed
US-20220008409-A1 CANCER COMBINATION THERAPY USING QUINOLINE CARBOXAMIDE DERIVATIVE KABUSHIKI KAISHA YAKULT HONSHA (JP) 2022-01-13 US disclosed
EP-3854397-A1 CANCER COMBINATION THERAPY USING QUINOLINE CARBOXAMIDE DERIVATIVE Kabushiki Kaisha Yakult Honsha (JP) 2021-07-28 EP disclosed
WO-2020218432-A1 IMMUNE CHECKPOINT INHIBITOR COMBINATION THERAPY USING QUINOLINE CARBOXAMIDE DERIVATIVE 株式会社ヤクルト本社 2020-10-29 WO disclosed
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 (3 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-20220008409-A1 CANCER COMBINATION THERAPY USING QUINOLINE CARBOXAMIDE DERIVATIVE JAK2, ROS1, ABL1 STAT3 14/4885CYP2C9 2477/4885MEN1 3556/4885
US-20110172429-A1 STAT3 INHIBITOR CONTAINING QUINOLINECARBOXAMIDE DERIVATIVE AS ACTIVE INGREDIENT STAT3, STAT4, STAT5B STAT3 1/4885CYP2C9 2835/4885MEN1 4247/4885
US-20220218693-A1 IMMUNE CHECKPOINT INHIBITOR COMBINATION THERAPY USING QUINOLINE CARBOXAMIDE DERIVATIVE STAT3, PDCD1, CD274 STAT3 1/4885CYP2C9 2897/4885MEN1 2005/4885

“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.