SCHEMBL5404670

SCHEMBL5404670

NCCc1ccc[nH]c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.48
AURKB Q96GD4 1/20 0.48
INCENP Q9NQS7 1/20 0.48
TAAR1 Q96RJ0 9/20 0.47
CHEK1 O14757 5/20 0.46
DAO P14920 1/20 0.43
HTR2A P28223 2/20 0.40
MPO P05164 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2A6 P11509 1/20 0.40
NFKB1 P19838 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
HTR2C P28335 1/20 0.40
HTR7 P34969 1/20 0.40
CTSK P43235 1/20 0.40
HTR6 P50406 1/20 0.40
CYP2A13 Q16696 1/20 0.40

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
SCHEMBL4602524 0.88 CHEK1 (0.51) AURKAAURKBINCENPCHEK1DAO
SCHEMBL1694688 0.83
SCHEMBL9234355 0.81 DAO (0.45) AURKAAURKBINCENPCHEK1DAO
SCHEMBL174911 0.79 KDM4E (0.44) AURKAAURKBINCENPDAOMCL1
SCHEMBL16759805 0.79 DAO (0.43) AURKAAURKBINCENPCHEK1DAO
SCHEMBL9752756 0.79 DAO (0.43) AURKAAURKBINCENPCHEK1DAO
SCHEMBL9752575 0.78 DAO (0.42) AURKAAURKBINCENPCHEK1DAO
SCHEMBL4602182 0.77 PARP1 (0.46) AURKAAURKBINCENPDAOMPO
SCHEMBL10692239 0.76 DAO (0.41) AURKAAURKBINCENPDAOMCL1
SCHEMBL6536604 0.76 DAO (0.45) AURKAAURKBINCENPCHEK1DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2925792-A1 PHOTOREACTIVE DERIVATIVE OF HYALURONIC ACID, METHOD OF PREPARATION THEREOF, 3D-CROSSLINKED DERIVATIVE OF HYALURONIC ACID, METHOD OF PREPARATION AND USE THEREOF Contipro Biotech s.r.o. (CZ) 2015-10-07 EP claimed
WO-2014082608-A1 PHOTOREACTIVE DERIVATIVE OF HYALURONIC ACID, METHOD OF PREPARATION THEREOF, 3D-CROSSLINKED DERIVATIVE OF HYALURONIC ACID, METHOD OF PREPARATION AND USE THEREOF CONTIPRO BIOTECH S.R.O. (CZ) 2014-06-05 WO claimed
US-20230167119-A1 DIAMINOPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBONITRILE COMPOUNDS AS ADENOSINE 2A RECEPTOR AND ADENOSINE 2B RECEPTOR ANTAGONIST Bugworks Research, Inc. 2023-06-01 US disclosed
US-7285559-B2 Imidazo-substituted compounds as p38 kinase inhibitors ROCHE PALO ALTO LLC (US) 2007-10-23 US disclosed
US-7285561-B2 Imidazo-substituted compounds as p38 kinase inhibitors ROCHE PALO ALTO LLC (US) 2007-10-23 US disclosed
US-20060252783-A1 Imidazo-substituted compounds as p38 kinase inhibitors GOLDSTEIN DAVID M 2006-11-09 US disclosed
US-20060252784-A1 Imidazo-substituted compounds as P38 kinase inhibitors GOLDSTEIN DAVID M 2006-11-09 US disclosed
US-7081462-B2 Imidazo-substituted compounds as p38 kinase inhibitors ROCHE PALO ALTO LLC (US) 2006-07-25 US disclosed
US-6949560-B2 Imidazo-substituted compounds as p38 kinase inhibitors ROCHE PALO ALTO LLC (US) 2005-09-27 US disclosed
US-20050197352-A1 Imidazo-substituted compounds as p38 kinase inhibitors GOLDSTEIN DAVID M (US) 2005-09-08 US disclosed
US-20030232847-A1 Imidazo-substituted compounds as p38 kinase inhibitors ROCHE PALO ALTO LLC 2003-12-18 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 (5 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-20060252784-A1 Imidazo-substituted compounds as P38 kinase inhibitors MAPK1, MAP3K1, MAPK3 AURKA 361/4885AURKB 330/4885INCENP 2585/4885
US-20060252783-A1 Imidazo-substituted compounds as p38 kinase inhibitors MAPK1, MAP3K1, MAPK3 AURKA 361/4885AURKB 330/4885INCENP 2585/4885
US-20050197352-A1 Imidazo-substituted compounds as p38 kinase inhibitors MAPK1, MAP3K1, MAPK3 AURKA 361/4885AURKB 330/4885INCENP 2585/4885
US-20230167119-A1 DIAMINOPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBONITRILE COMPOUNDS AS ADENOSINE 2A RECEPTOR AND ADENOSINE 2B RECEPTOR ANTAGONIST ADORA2A, ADORA2B, ADORA1 AURKA 544/4885AURKB 534/4885INCENP 3901/4885
US-20030232847-A1 Imidazo-substituted compounds as p38 kinase inhibitors MAPK1, MAPK3, MAP3K1 AURKA 229/4885AURKB 301/4885INCENP 1716/4885

“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.