SCHEMBL1494899

SCHEMBL1494899

O=c1[nH]ncc2c[nH]nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 2/20 0.42
PARP1 P09874 1/20 0.42
PRKCI P41743 1/20 0.42
PDE4B Q07343 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
SLC2A1 P11166 1/20 0.36
XDH P47989 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
ADORA2A P29274 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
RAB9A P51151 1/20 0.33
BLM P54132 1/20 0.33
MKNK1 Q9BUB5 1/20 0.31

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
SCHEMBL16878271 0.70
SCHEMBL7013359 0.67 ALDH1A1 (0.44) ALDH1A1HSD17B10PARP1PRKCIPDE4B
SCHEMBL3232834 0.66 ALDH1A1 (0.42) ALDH1A1HSD17B10PARP1PRKCIPDE4B
SCHEMBL4564464 0.66 HSD17B10 (0.50) ALDH1A1HSD17B10PARP1PRKCIPDE4B
SCHEMBL994116 0.65 ALDH1A1 (0.46) ALDH1A1HSD17B10PARP1PRKCIPDE4B
SCHEMBL30032497 0.65 ALDH1A1 (0.41) ALDH1A1HSD17B10PARP1PRKCIPDE4B
SCHEMBL19153237 0.64 RAB9A (0.46) ALDH1A1HSD17B10PARP1PRKCIPDE4B
SCHEMBL19152884 0.64 ALDH1A1 (0.40) ALDH1A1HSD17B10PARP1PRKCIPDE4B
SCHEMBL7366251 0.64 PARP1 (0.53) ALDH1A1HSD17B10PARP1PRKCIPDE4B
SCHEMBL27172261 0.64 ALDH1A1 (0.53) ALDH1A1HSD17B10PARP1PRKCIPDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8486945-B2 Heterocyclic inhibitors of an Hh-signal cascade, medicinal compositions based thereon and methods for treating diseases caused by the aberrant activity of an Hh-signal system Ivachtchenko, Alexandre Vasilievich (US) 2013-07-16 US claimed
US-20110053915-A1 HETEROCYCLIC INHIBITORS OF AN Hh-SIGNAL CASCADE, MEDICINAL COMPOSITIONS BASED THEREON AND METHODS FOR TREATING DISEASES CAUSED BY THE ABERRANT ACTIVITY OF AN Hh-SIGNAL SYSTEM ALLA CHEM, LLC (US) 2011-03-03 US claimed
WO-2021004547-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF HPK1 GUANGDONG NEWOPP BIOPHARMACEUTICALS CO., LTD. (CN) 2021-01-14 WO disclosed
WO-2015189433-A1 PYRIDAZINONES FOR THE TREATMENT OF CANCER MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2015-12-17 WO disclosed
US-8486945-B2 Heterocyclic inhibitors of an Hh-signal cascade, medicinal compositions based thereon and methods for treating diseases caused by the aberrant activity of an Hh-signal system Ivachtchenko, Alexandre Vasilievich (US) 2013-07-16 US disclosed
US-8486945-B2 Heterocyclic inhibitors of an Hh-signal cascade, medicinal compositions based thereon and methods for treating diseases caused by the aberrant activity of an Hh-signal system Ivachtchenko, Alexandre Vasilievich (US) 2013-07-16 US disclosed
US-20110053915-A1 HETEROCYCLIC INHIBITORS OF AN Hh-SIGNAL CASCADE, MEDICINAL COMPOSITIONS BASED THEREON AND METHODS FOR TREATING DISEASES CAUSED BY THE ABERRANT ACTIVITY OF AN Hh-SIGNAL SYSTEM ALLA CHEM, LLC (US) 2011-03-03 US disclosed
US-20110053915-A1 HETEROCYCLIC INHIBITORS OF AN Hh-SIGNAL CASCADE, MEDICINAL COMPOSITIONS BASED THEREON AND METHODS FOR TREATING DISEASES CAUSED BY THE ABERRANT ACTIVITY OF AN Hh-SIGNAL SYSTEM ALLA CHEM, LLC (US) 2011-03-03 US disclosed
EP-2137158-A1 SMALL MOLECULE INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASES (PRMTS) MethylGene Inc. (CA) 2009-12-30 EP disclosed
WO-2009077956-A3 HETEROCYCLIC INHIBITORS OF AN Hh-SIGNAL CASCADE, MEDICINAL COMPOSITIONS BASED THEREON AND METHODS FOR TREATING DISEASES CAUSED BY THE ABERRANT ACTIVITY OF AN Hh-SIGNAL SYSTEM АЛЛА ХЕМ, ЛЛС (US) 2009-10-22 WO disclosed
WO-2009077956-A2 HETEROCYCLIC INHIBITORS OF AN Hh-SIGNAL CASCADE, MEDICINAL COMPOSITIONS BASED THEREON AND METHODS FOR TREATING DISEASES CAUSED BY THE ABERRANT ACTIVITY OF AN Hh-SIGNAL SYSTEM ALLA CHEM, LLC (US) 2009-06-25 WO disclosed
WO-2008104077-A1 SMALL MOLECULE INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASES (PRMTS) METHYLGENE INC. (CA) 2008-09-04 WO disclosed
WO-2005061504-A1 BICYCLIC PYRIDAZINONE CANNABINOID RECEPTOR LIGANDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2005-07-07 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-20110053915-A1 HETEROCYCLIC INHIBITORS OF AN Hh-SIGNAL CASCADE, MEDICINAL COMPOSITIONS BASED THEREON AND METHODS FOR TREATING DISEASES CAUSED BY THE ABERRANT ACTIVITY OF AN Hh-SIGNAL SYSTEM SHH, SMO, GLI1 ALDH1A1 410/4885HSD17B10 2807/4885PARP1 4845/4885

“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.