SCHEMBL1898505

SCHEMBL1898505

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

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 7/20 0.83
SMN1; SMN2 Q16637 5/20 0.62
KDM4E B2RXH2 5/20 0.62
LMNA P02545 4/20 0.62
TDP1 Q9NUW8 4/20 0.62
HTT P42858 4/20 0.62
HPGD P15428 4/20 0.62
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
ALDH1A1 P00352 2/20 0.62
MAPK1 P28482 2/20 0.62
HCRTR1 O43613 1/20 0.62
GLA P06280 1/20 0.62
MAPT P10636 1/20 0.62
ALOX12 P18054 2/20 0.60
ALOX15 P16050 1/20 0.60
CXCR5 P32302 1/20 0.60
APLNR P35414 1/20 0.60
OPRK1 P41145 1/20 0.60
CCR6 P51684 1/20 0.60

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
SCHEMBL1899177 0.98 STAT3 (0.86) STAT3SMN1; SMN2KDM4ELMNATDP1
SCHEMBL1900201 0.92 STAT3 (0.73) STAT3SMN1; SMN2KDM4ELMNATDP1
SCHEMBL1901891 0.91 STAT3 (0.69) STAT3SMN1; SMN2KDM4ELMNATDP1
SCHEMBL1899336 0.91 STAT3 (0.72) STAT3SMN1; SMN2KDM4ELMNATDP1
SCHEMBL1900917 0.91 STAT3 (1.00) STAT3SMN1; SMN2KDM4ELMNATDP1
SCHEMBL1904300 0.89 STAT3 (0.81) STAT3SMN1; SMN2KDM4ELMNATDP1
SCHEMBL1899847 0.89 STAT3 (0.81) STAT3SMN1; SMN2KDM4ELMNATDP1
SCHEMBL1898948 0.88 STAT3 (1.00) STAT3SMN1; SMN2KDM4ELMNATDP1
SCHEMBL1906040 0.85 STAT3 (0.73) STAT3SMN1; SMN2KDM4ELMNATDP1
SCHEMBL1899841 0.85 STAT3 (0.75) STAT3SMN1; SMN2KDM4ELMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20110172429-A1 STAT3 INHIBITOR CONTAINING QUINOLINECARBOXAMIDE DERIVATIVE AS ACTIVE INGREDIENT STAT3, STAT4, STAT5B STAT3 1/4885SMN1; SMN2 4492/4885KDM4E 532/4885

“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.