SCHEMBL19835409

SCHEMBL19835409

Cc1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)cc1CN

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 3/20 0.50
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
NOTUM Q6P988 2/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
DPP4 P27487 5/20 0.38
PPARG P37231 1/20 0.38
STAT3 P40763 1/20 0.38

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
SCHEMBL4934709 0.87 DPP4 (0.48) CYP3A4DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL4918479 0.86 DPP4 (0.47) CYP3A4DPP4DPP8DPP9
SCHEMBL19835690 0.81 MALT1 (0.50) MALT1KDM4ENPSR1MEN1NPC1
SCHEMBL19835467 0.81 MALT1 (0.53) MALT1MEN1KMT2ANOTUMDPP4
SCHEMBL5187409 0.80 DPP4 (0.44) DPP4DPP8CRHR1DPP9
Hydrochloric Acid SCHEMBL4913608 0.79 DPP4 (0.43) DPP4DPP8CRHR1DPP9
SCHEMBL5202471 0.78 DPP4 (0.55) CYP3A4DPP4DPP8CRHR1CNR1
Hydrochloric Acid SCHEMBL4912438 0.77 DPP4 (0.54) CYP3A4DPP4DPP8CRHR1CNR1
SCHEMBL15392959 0.76 MALT1 (0.44) MALT1MAPTDPP4STAT3CNR1
SCHEMBL4911902 0.76 MALT1 (0.43) MALT1DPP4DPP8CRHR1CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10662156-B2 Guanidine derivative and medical use thereof TORAY INDUSTRIES, INC. (JP) 2020-05-26 US disclosed
US-10662156-B2 Guanidine derivative and medical use thereof TORAY INDUSTRIES, INC. (JP) 2020-05-26 US disclosed
US-20190233376-A1 GUANIDINE DERIVATIVE AND MEDICAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 2019-08-01 US disclosed
US-20190233376-A1 GUANIDINE DERIVATIVE AND MEDICAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 2019-08-01 US disclosed
EP-3495348-A1 GUANIDINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES Toray Industries, Inc. (JP) 2019-06-12 EP disclosed
EP-3495348-A1 GUANIDINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES Toray Industries, Inc. (JP) 2019-06-12 EP disclosed
WO-2018021520-A1 GUANIDINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES 東レ株式会社 2018-02-01 WO 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-20190233376-A1 GUANIDINE DERIVATIVE AND MEDICAL USE THEREOF MALT1, GUCY1A1, GUCY1B1 MALT1 1/4885KDM4E 1362/4885ALDH1A1 1505/4885
US-10662156-B2 Guanidine derivative and medical use thereof MALT1, GUCY1A1, GUCY1B1 MALT1 1/4885KDM4E 1362/4885ALDH1A1 1505/4885

“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.