SCHEMBL1900923

SCHEMBL1900923

O=C(Nc1nnc(-c2ccccc2)o1)c1cc(-c2cccs2)nc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 1.00
ALDH1A1 P00352 6/20 1.00
MAPT P10636 5/20 1.00
MEN1 O00255 4/20 1.00
KMT2A Q03164 4/20 1.00
HPGD P15428 4/20 1.00
LMNA P02545 2/20 1.00
HTT P42858 2/20 1.00
SMN1; SMN2 Q16637 2/20 1.00
TDP1 Q9NUW8 2/20 1.00
HCRTR1 O43613 1/20 1.00
GLA P06280 1/20 1.00
MAPK1 P28482 1/20 1.00
STAT3 P40763 8/20 0.85
ADCY8 P40145 1/20 0.83
ADCY1 Q08828 1/20 0.83
GAA P10253 4/20 0.62
TP53 P04637 2/20 0.61
TSHR P16473 1/20 0.61
HSD17B10 Q99714 1/20 0.61

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
SCHEMBL1900368 0.92 STAT3 (1.00) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL15015490 0.91 ADCY1 (1.00) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL1900732 0.88 STAT3 (1.00) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL1898948 0.87 STAT3 (1.00) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL17717093 0.85 ADCY8 (0.76) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL1899847 0.82 STAT3 (0.81) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL1900917 0.82 STAT3 (1.00) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL15015470 0.82 STAT3 (0.88) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL1898939 0.79 STAT3 (0.82) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL1899362 0.79 STAT3 (1.00) KDM4EALDH1A1MAPTMEN1KMT2A

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-2020059705-A1 CANCER COMBINATION THERAPY USING QUINOLINE CARBOXAMIDE DERIVATIVE 株式会社ヤクルト本社 2020-03-26 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 KDM4E 1390/4885ALDH1A1 1544/4885MAPT 3888/4885
US-20110172429-A1 STAT3 INHIBITOR CONTAINING QUINOLINECARBOXAMIDE DERIVATIVE AS ACTIVE INGREDIENT STAT3, STAT4, STAT5B KDM4E 532/4885ALDH1A1 3308/4885MAPT 4208/4885
US-20220218693-A1 IMMUNE CHECKPOINT INHIBITOR COMBINATION THERAPY USING QUINOLINE CARBOXAMIDE DERIVATIVE STAT3, PDCD1, CD274 KDM4E 460/4885ALDH1A1 742/4885MAPT 2999/4885

“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.