SCHEMBL1900265

SCHEMBL1900265

O=C(Nc1nnc(-c2ccco2)o1)c1cc(-c2cccc([N+](=O)[O-])c2)nc2ccccc12

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 9/20 0.79
MAPT P10636 6/20 0.60
ALDH1A1 P00352 3/20 0.60
LMNA P02545 3/20 0.57
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
KDM4E B2RXH2 3/20 0.55
HTT P42858 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
HCRTR1 O43613 1/20 0.53
GLA P06280 1/20 0.53
HPGD P15428 1/20 0.53
MAPK1 P28482 1/20 0.53
LCLAT1 Q6UWP7 2/20 0.51
PAX8 Q06710 1/20 0.50
GAA P10253 1/20 0.50
CACNA1B Q00975 1/20 0.50
APBA1 Q02410 1/20 0.50

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
SCHEMBL1898591 0.92 STAT3 (0.81) STAT3MAPTALDH1A1LMNAMEN1
SCHEMBL29382140 0.89 STAT3 (1.00) STAT3MAPTALDH1A1LMNAMEN1
SCHEMBL1899809 0.89 STAT3 (1.00) STAT3MAPTALDH1A1LMNAMEN1
SCHEMBL1898290 0.87 STAT3 (0.86) STAT3MAPTALDH1A1LMNAMEN1
SCHEMBL1900574 0.87 STAT3 (0.86) STAT3MAPTALDH1A1LMNAMEN1
SCHEMBL1900929 0.86 STAT3 (0.76) STAT3MAPTALDH1A1LMNAMEN1
SCHEMBL1899661 0.86 STAT3 (0.84) STAT3MAPTALDH1A1LMNAMEN1
SCHEMBL1899401 0.85 STAT3 (0.81) STAT3MAPTALDH1A1LMNAMEN1
SCHEMBL1901242 0.85 STAT3 (0.81) STAT3MAPTALDH1A1LMNAMEN1
SCHEMBL1899815 0.85 STAT3 (1.00) STAT3MAPTALDH1A1LMNAMEN1

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 14/4885MAPT 3888/4885ALDH1A1 1544/4885
US-20110172429-A1 STAT3 INHIBITOR CONTAINING QUINOLINECARBOXAMIDE DERIVATIVE AS ACTIVE INGREDIENT STAT3, STAT4, STAT5B STAT3 1/4885MAPT 4208/4885ALDH1A1 3308/4885
US-20220218693-A1 IMMUNE CHECKPOINT INHIBITOR COMBINATION THERAPY USING QUINOLINE CARBOXAMIDE DERIVATIVE STAT3, PDCD1, CD274 STAT3 1/4885MAPT 2999/4885ALDH1A1 742/4885

“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.