SCHEMBL1901849

SCHEMBL1901849

COc1ccc(-c2cc(C(=O)Nc3nnc(-c4ccco4)o3)c3ccccc3n2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 8/20 0.83
ADCY8 P40145 1/20 0.67
ADCY1 Q08828 1/20 0.67
CYP3A4 P08684 2/20 0.62
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
UBE2I P63279 2/20 0.60
CACNA1B Q00975 2/20 0.60
APBA1 Q02410 2/20 0.60
SAE1 Q9UBE0 2/20 0.60
UBA2 Q9UBT2 2/20 0.60
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
LMNA P02545 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
KDM4E B2RXH2 1/20 0.57
HTT P42858 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
CTDSP1 Q9GZU7 2/20 0.57
RUVBL1 Q9Y265 1/20 0.55

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
SCHEMBL1901242 0.92 STAT3 (0.81) STAT3ADCY8ADCY1CYP3A4MEN1
SCHEMBL1901062 0.91 STAT3 (0.77) STAT3ADCY8ADCY1CYP3A4MEN1
SCHEMBL1899809 0.91 STAT3 (1.00) STAT3CYP3A4MEN1KMT2ACACNA1B
SCHEMBL29382140 0.91 STAT3 (1.00) STAT3CYP3A4MEN1KMT2ACACNA1B
SCHEMBL1898648 0.90 STAT3 (0.87) STAT3CYP3A4MEN1KMT2ANPC1
SCHEMBL1899317 0.90 STAT3 (0.77) STAT3ADCY8ADCY1MEN1KMT2A
SCHEMBL1899563 0.89 STAT3 (0.89) STAT3CYP3A4MEN1KMT2ANPC1
SCHEMBL1898939 0.89 STAT3 (0.82) STAT3ADCY8ADCY1CYP3A4MEN1
SCHEMBL1904076 0.89 STAT3 (0.79) STAT3ADCY8ADCY1MEN1KMT2A
SCHEMBL1901342 0.89 STAT3 (0.84) STAT3ADCY8ADCY1MEN1KMT2A

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-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
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 STAT3 14/4885ADCY8 1842/4885ADCY1 3882/4885
US-20110172429-A1 STAT3 INHIBITOR CONTAINING QUINOLINECARBOXAMIDE DERIVATIVE AS ACTIVE INGREDIENT STAT3, STAT4, STAT5B STAT3 1/4885ADCY8 3230/4885ADCY1 3004/4885
US-20220218693-A1 IMMUNE CHECKPOINT INHIBITOR COMBINATION THERAPY USING QUINOLINE CARBOXAMIDE DERIVATIVE STAT3, PDCD1, CD274 STAT3 1/4885ADCY8 4674/4885ADCY1 4608/4885

“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.