SCHEMBL6139252

SCHEMBL6139252

CNC(=O)/C=C/c1cc(N)ccc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PELI1 Q96FA3 3/20 0.44
▸ PLAU P00749 1/20 0.41
▸ CCNC P24863 5/20 0.39
▸ CDK8 P49336 5/20 0.39
▸ PARP1 P09874 2/20 0.37
▸ PARP10 Q53GL7 2/20 0.37
▸ PARP14 Q460N5 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ MCL1 Q07820 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36

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
SCHEMBL6139255 1.00 PELI1 (0.44) PELI1PLAUCCNCCDK8PARP1
Hydrochloric Acid SCHEMBL6139494 0.98 PELI1 (0.43) PELI1PLAUCCNCCDK8PARP1
Hydrochloric Acid SCHEMBL6139496 0.98 PELI1 (0.43) PELI1PLAUCCNCCDK8PARP1
SCHEMBL452551 0.83 ALDH1A1 (0.48) PELI1MAPTMEN1KMT2AKDM4E
SCHEMBL452549 0.83 ALDH1A1 (0.48) PELI1MAPTMEN1KMT2AKDM4E
SCHEMBL6138672 0.83 ALOX5 (0.44) MAPTMEN1USP2POLBTHRB
SCHEMBL6138675 0.83 ALOX5 (0.44) MAPTMEN1USP2POLBTHRB
SCHEMBL6589182 0.81 BACE1 (0.51) MAPTMEN1RECQLKMT2AKDM4E
Hydrochloric Acid SCHEMBL6139114 0.81 ALOX5 (0.43) MAPTMEN1USP2POLBTHRB
SCHEMBL6589189 0.81 BACE1 (0.51) MAPTMEN1RECQLKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1263712-B1 3-(2,5-DIAMINOPHENYL)-ACRYLAMIDE DERIVATIVES AND COLOURING AGENTS CONTAINING SAID COMPOUNDS WELLA AG (DE) 2005-12-14 — — EP disclosed
US-6699990-B2 COLORFASTNESS; WATERPROOFING; OXIDATIVE COLOR HAIR DYES WELLA AKTIENGESELLSCHAFT (DE) 2004-03-02 — — US disclosed
US-20030140431-A1 3-(2,5-Diaminophenyl)-acrylamide derivatives and colouring agents containing said compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-07-31 — — US disclosed
EP-1263712-A1 3-(2,5-DIAMINOPHENYL)-ACRYLAMIDE DERIVATIVES AND COLOURING AGENTS CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2002-12-11 — — EP disclosed
WO-2002074731-A1 3-(2,5-DIAMINOPHENYL)-ACRYLAMIDE DERIVATIVES AND COLOURING AGENTS CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2002-09-26 — — 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 (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-20030140431-A1 3-(2,5-Diaminophenyl)-acrylamide derivatives and colouring agents containing said compounds DPYD, AOC1, GPX4 PELI1 2908/4885PLAU 3874/4885CCNC 879/4885

“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.

Send feedback