SCHEMBL1901062

SCHEMBL1901062

COc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3nnc(-c4ccco4)o3)c2c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 8/20 0.77
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
TACR3 P29371 1/20 0.56
PLA2G2A P14555 1/20 0.56
ADCY8 P40145 1/20 0.55
ADCY1 Q08828 1/20 0.55
LMNA P02545 3/20 0.55
MCL1 Q07820 2/20 0.55
CYP3A4 P08684 1/20 0.55
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
KDM4E B2RXH2 3/20 0.53
MEN1 O00255 1/20 0.53
HTT P42858 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TDP1 Q9NUW8 1/20 0.53

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
SCHEMBL1898078 0.91 STAT3 (0.74) STAT3CA12CA1CA2CA9
SCHEMBL1901849 0.91 STAT3 (0.83) STAT3ADCY8ADCY1LMNACYP3A4
SCHEMBL1903799 0.91 STAT3 (0.71) STAT3CA12CA1CA2CA9
SCHEMBL1901242 0.90 STAT3 (0.81) STAT3ADCY8ADCY1LMNACYP3A4
SCHEMBL1899883 0.89 STAT3 (0.73) STAT3LMNANPC1RAB9AKDM4E
SCHEMBL1897448 0.88 STAT3 (0.81) STAT3LMNACYP3A4NPC1RAB9A
SCHEMBL1899737 0.88 STAT3 (0.72) STAT3ADCY8ADCY1LMNAMCL1
SCHEMBL22471946 0.88 STAT3 (0.72) STAT3ADCY8ADCY1LMNANPC1
SCHEMBL1905449 0.88 STAT3 (0.84) STAT3LMNAMCL1NPC1RAB9A
SCHEMBL1900395 0.87 STAT3 (0.82) STAT3LMNAMCL1NPC1RAB9A

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 8 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
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 14/4885CA12 2434/4885CA1 2581/4885
US-20110172429-A1 STAT3 INHIBITOR CONTAINING QUINOLINECARBOXAMIDE DERIVATIVE AS ACTIVE INGREDIENT STAT3, STAT4, STAT5B STAT3 1/4885CA12 4184/4885CA1 3883/4885
US-20220218693-A1 IMMUNE CHECKPOINT INHIBITOR COMBINATION THERAPY USING QUINOLINE CARBOXAMIDE DERIVATIVE STAT3, PDCD1, CD274 STAT3 1/4885CA12 1416/4885CA1 2142/4885

“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.