SCHEMBL1900802

SCHEMBL1900802

O=C(Nc1nnc(-c2ccccc2)o1)c1cc(-c2ccccc2)nc2ccc(OC(F)(F)F)cc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 7/20 0.70
KDM4E B2RXH2 4/20 0.56
LMNA P02545 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
MEN1 O00255 2/20 0.56
HTT P42858 2/20 0.56
KMT2A Q03164 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
HPGD P15428 2/20 0.56
MAPK1 P28482 2/20 0.56
HCRTR1 O43613 1/20 0.56
ALDH1A1 P00352 1/20 0.56
GLA P06280 1/20 0.56
MAPT P10636 1/20 0.56
ADCY1 Q08828 3/20 0.54
ADCY8 P40145 1/20 0.54
DHODH Q02127 1/20 0.51
PLA2G2A P14555 1/20 0.49
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48

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
SCHEMBL1906040 0.95 STAT3 (0.73) STAT3KDM4ELMNASMN1; SMN2MEN1
SCHEMBL1899842 0.95 STAT3 (0.63) STAT3KDM4ELMNASMN1; SMN2MEN1
SCHEMBL1901042 0.92 STAT3 (0.73) STAT3KDM4ELMNASMN1; SMN2MEN1
SCHEMBL1898736 0.92 STAT3 (0.59) STAT3KDM4ELMNASMN1; SMN2MEN1
SCHEMBL1900644 0.90 STAT3 (0.57) STAT3KDM4ELMNASMN1; SMN2MEN1
SCHEMBL1899883 0.90 STAT3 (0.73) STAT3KDM4ELMNASMN1; SMN2MEN1
SCHEMBL1899779 0.90 STAT3 (0.73) STAT3KDM4ELMNASMN1; SMN2MEN1
SCHEMBL22471946 0.90 STAT3 (0.72) STAT3KDM4ELMNASMN1; SMN2MEN1
SCHEMBL1898948 0.83 STAT3 (1.00) STAT3KDM4ELMNASMN1; SMN2MEN1
SCHEMBL1898505 0.82 STAT3 (0.83) STAT3KDM4ELMNASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220008409-A1 CANCER COMBINATION THERAPY USING QUINOLINE CARBOXAMIDE DERIVATIVE KABUSHIKI KAISHA YAKULT HONSHA (JP) 2022-01-13 US disclosed
CN-113747920-A Immune checkpoint inhibitor combination therapy using quinoline carboxamide derivatives 株式会社益力多本社 2021-12-03 CN disclosed
EP-3854397-A1 CANCER COMBINATION THERAPY USING QUINOLINE CARBOXAMIDE DERIVATIVE Kabushiki Kaisha Yakult Honsha (JP) 2021-07-28 EP disclosed
CN-112703001-A Combination cancer therapy using quinoline carboxamide derivatives 株式会社益力多本社 2021-04-23 CN 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
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 (2 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 14/4885KDM4E 1390/4885LMNA 4862/4885
US-20110172429-A1 STAT3 INHIBITOR CONTAINING QUINOLINECARBOXAMIDE DERIVATIVE AS ACTIVE INGREDIENT STAT3, STAT4, STAT5B STAT3 1/4885KDM4E 532/4885LMNA 4766/4885

“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.