SCHEMBL2519637

SCHEMBL2519637

Cc1cnc2ccccc2c1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
ALDH1A1 P00352 5/20 0.50
HSD17B10 Q99714 5/20 0.50
HPGD P15428 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
ACHE P22303 3/20 0.50
GLA P06280 2/20 0.50
CASP1 P29466 2/20 0.50
CASP7 P55210 2/20 0.50
CHRM2 P08172 2/20 0.50
ADRA2A P08913 2/20 0.50
ADORA3 P0DMS8 2/20 0.50
CHRM1 P11229 2/20 0.50
SLC6A2 P23975 2/20 0.50
OPRM1 P35372 2/20 0.50
KCNH2 Q12809 2/20 0.50
NQO2 P16083 1/20 0.50
MAOA P21397 1/20 0.50
DRD1 P21728 1/20 0.50
ADRA1A P35348 1/20 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
SCHEMBL4733753 0.79 NCF1 (0.50) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL203711 0.78 LMNA (0.55) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL3156746 0.78 CCR1 (0.52) KDM4ETSHRGPR3BACE1CYP1A2
SCHEMBL29742219 0.78 LMNA (0.55) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL29661797 0.78 CCR1 (0.52) KDM4ETSHRGPR3BACE1CYP1A2
Ammonia Solution, Strong SCHEMBL6035045 0.77 LMNA (0.53) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL23736298 0.76 PDPK1 (0.42) KDM4EALDH1A1ACHECASP1CHRM2
SCHEMBL12210442 0.76 ACHE (0.49) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL23474020 0.75 GPR3 (0.52) KDM4ESMN1; SMN2RAB9AGPR3BACE1
SCHEMBL23234986 0.75 KDM4E (0.50) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49481-E1 Compounds for the treatment and prophylaxis of respiratory syncytial virus disease HOFFMANN-LA ROCHE INC. (US) 2023-04-04 US claimed
EP-1066257-A2 HETEROCYLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE Sugen, Inc. (US) 2001-01-10 EP claimed
WO-1999048868-A9 HETEROCYCLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE SUGEN INC (US) 2000-04-20 WO claimed
WO-1999048868-A2 HETEROCYCLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE SUGEN, INC. (US) 1999-09-30 WO claimed
US-RE49481-E1 Compounds for the treatment and prophylaxis of respiratory syncytial virus disease HOFFMANN-LA ROCHE INC. (US) 2023-04-04 US disclosed
US-20200246345-A1 ALDEHYDE CONJUGATES AND USES THEREOF ALDEYRA THERAPEUTICS, INC. 2020-08-06 US disclosed
CN-105136787-A Detection reagent for mono-hydroxyphenyl metabolin urine SHANGHAI FEI JI BIOTECHNOLOGY CO LTD 2015-12-09 CN disclosed
US-20140221455-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR Verva Pharmaceuticals, Inc. (AU) 2014-08-07 US disclosed
US-8481543-B2 Compounds for treating parasitic disease OREGON HEALTH & SCIENCE UNIVERSITY (US) 2013-07-09 US disclosed
US-20110251209-A1 COMPOUNDS FOR TREATING PARASITIC DISEASE OREGON HEALTH & SCIENCE UNIVERSITY 2011-10-13 US disclosed
WO-2010059633-A2 COMPOUNDS FOR TREATING PARASITIC DISEASE OREGON HEALTH & SCIENCE UNIVERSITY (US) 2010-05-27 WO disclosed
US-20050282733-A1 Differentiation modulating agents and uses therefor VERVA PHARMACEUTICALS PTY LTD (AU) 2005-12-22 US disclosed
WO-2005065686-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR ADIPOGEN PHARMACEUTICALS PTY LIMITED (AU) 2005-07-21 WO disclosed
EP-1066257-A2 HETEROCYLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE Sugen, Inc. (US) 2001-01-10 EP disclosed
WO-1999048868-A9 HETEROCYCLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE SUGEN INC (US) 2000-04-20 WO disclosed
WO-1999048868-A2 HETEROCYCLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE SUGEN, INC. (US) 1999-09-30 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 (3 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-20200246345-A1 ALDEHYDE CONJUGATES AND USES THEREOF ALDH1A2, AOX1, ALDH2 KDM4E 2179/4885ALDH1A1 5/4885HSD17B10 386/4885
US-20050282733-A1 Differentiation modulating agents and uses therefor FGF1, FABP4, FGF2 KDM4E 2405/4885ALDH1A1 1103/4885HSD17B10 671/4885
US-20110251209-A1 COMPOUNDS FOR TREATING PARASITIC DISEASE EPX, CFTR, TERT KDM4E 1079/4885ALDH1A1 474/4885HSD17B10 962/4885

“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.