SCHEMBL21392391

SCHEMBL21392391

Nc1ccc(-c2ccccccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 1.00
TDP1 Q9NUW8 3/20 1.00
TAAR1 Q96RJ0 3/20 1.00
HSD17B10 Q99714 2/20 1.00
ALDH1A1 P00352 7/20 0.73
TP53 P04637 1/20 0.73
MAPT P10636 6/20 0.62
RAB9A P51151 3/20 0.62
NPC1 O15118 2/20 0.62
HPGD P15428 2/20 0.62
KDM4E B2RXH2 2/20 0.62
GLA P06280 1/20 0.62
ALOX15 P16050 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
TSHR P16473 1/20 0.62
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
MAOA P21397 4/20 0.57
CYP1A2 P05177 3/20 0.50
CYP2C9 P11712 2/20 0.50

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
Biphenyl-4-Amine SCHEMBL62469 1.00 CYP3A4 (1.00) CYP3A4TDP1TAAR1HSD17B10ALDH1A1
Biphenyl-4-Amine SCHEMBL27682012 1.00 CYP3A4 (1.00) CYP3A4TDP1TAAR1HSD17B10ALDH1A1
SCHEMBL282830 1.00 CYP3A4 (1.00) CYP3A4TDP1TAAR1HSD17B10ALDH1A1
Benzidine SCHEMBL28050418 1.00 CYP3A4 (1.00) CYP3A4TDP1TAAR1HSD17B10ALDH1A1
Benzidine SCHEMBL308333 1.00 CYP3A4 (1.00) CYP3A4TDP1TAAR1HSD17B10ALDH1A1
Biphenyl-4-Amine SCHEMBL20296849 1.00 CYP3A4 (1.00) CYP3A4TDP1TAAR1HSD17B10ALDH1A1
SCHEMBL24524183 1.00 CYP3A4 (1.00) CYP3A4TDP1TAAR1HSD17B10ALDH1A1
Benzidine SCHEMBL29002343 1.00 CYP3A4 (1.00) CYP3A4TDP1TAAR1HSD17B10ALDH1A1
Biphenyl-4-Amine SCHEMBL15921057 1.00 CYP3A4 (1.00) CYP3A4TDP1TAAR1HSD17B10ALDH1A1
Biphenyl-4-Amine SCHEMBL28973472 0.97 CYP3A4 (0.94) CYP3A4TDP1TAAR1HSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11213520-B2 Phenylpyrazolylacetamide compounds and derivatives as CDK8/CDK19 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-01-04 US disclosed
US-20190290637-A1 NEW PHENYLPYRAZOLYLACETAMIDE COMPOUNDS AND DERIVATIVES AS CDK8/CDK19 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-09-26 US 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-11213520-B2 Phenylpyrazolylacetamide compounds and derivatives as CDK8/CDK19 inhibitors CDK9, CDK19, CDK8 CYP3A4 1884/4885TDP1 947/4885TAAR1 4213/4885
US-20190290637-A1 NEW PHENYLPYRAZOLYLACETAMIDE COMPOUNDS AND DERIVATIVES AS CDK8/CDK19 INHIBITORS CDK9, CDK19, CDK8 CYP3A4 1926/4885TDP1 1054/4885TAAR1 4119/4885

“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.