SCHEMBL1494735

SCHEMBL1494735

Nc1ccc(-c2cn3cccnc3n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 1.00
KMT2A Q03164 3/20 1.00
ALDH1A1 P00352 13/20 0.73
KDM4E B2RXH2 12/20 0.73
HPGD P15428 7/20 0.73
GLA P06280 6/20 0.73
HSD17B10 Q99714 3/20 0.73
NPC1 O15118 10/20 0.72
GAA P10253 8/20 0.72
SMN1; SMN2 Q16637 7/20 0.72
MAPT P10636 5/20 0.72
MEN1 O00255 2/20 0.72
TP53 P04637 1/20 0.72
POLB P06746 2/20 0.71
GFER P55789 1/20 0.71
CYP1A2 P05177 1/20 0.59
CDC7 O00311 1/20 0.56
DAPK3 O43293 1/20 0.56
DYRK3 O43781 1/20 0.56
ROCK2 O75116 1/20 0.56

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
SCHEMBL5305847 0.85 ALDH1A1 (0.76) RAB9AKMT2AALDH1A1KDM4EHPGD
SCHEMBL3671367 0.85 ALDH1A1 (1.00) RAB9AKMT2AALDH1A1KDM4EHPGD
SCHEMBL1692157 0.84 ALDH1A1 (1.00) RAB9AKMT2AALDH1A1KDM4EHPGD
SCHEMBL17626882 0.84 ALDH1A1 (1.00) RAB9AKMT2AALDH1A1KDM4EHPGD
SCHEMBL14646388 0.84 ALDH1A1 (0.73) RAB9AKMT2AALDH1A1KDM4EHPGD
SCHEMBL9298339 0.84 ALDH1A1 (0.73) RAB9AKMT2AALDH1A1KDM4EHPGD
SCHEMBL12970202 0.84 ALDH1A1 (0.73) RAB9AKMT2AALDH1A1KDM4EHPGD
SCHEMBL971743 0.84 ALDH1A1 (1.00) RAB9AKMT2AALDH1A1KDM4EHPGD
SCHEMBL9560123 0.83 ALDH1A1 (0.78) RAB9AKMT2AALDH1A1KDM4EHPGD
SCHEMBL5778701 0.83 RAB9A (0.71) RAB9AKMT2AALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-8895313-B2 Ligands for aggregated tau molecules WISTA LABORATORIES LTD. (SG) 2014-11-25 US disclosed
US-8895313-B2 Ligands for aggregated tau molecules WISTA LABORATORIES LTD. (SG) 2014-11-25 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-20110171739-A1 LIGANDS FOR AGGREGATED TAU MOLECULES WISTA LABORATORIES LTD. 2011-07-14 US disclosed
US-20110171739-A1 LIGANDS FOR AGGREGATED TAU MOLECULES WISTA LABORATORIES LTD. 2011-07-14 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
WO-2010034982-A1 LIGANDS FOR AGGREGATED TAU MOLECULES WISTA LABORATORIES LTD. (SG) 2010-04-01 WO disclosed
US-20060276433-A1 Hydrazone derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-12-07 US disclosed
EP-1612204-A1 HYDRAZONE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-04 EP disclosed
US-6043254-A ANTIPROLIFERATIVE AGENT; ENZYME INHIBITOR BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-03-28 US disclosed
WO-1999051590-A1 SUBSTITUTED INDOLINONES AS KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-10-14 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-20110171739-A1 LIGANDS FOR AGGREGATED TAU MOLECULES MAPT, PRNP, MAP4 RAB9A 2622/4885KMT2A 3452/4885ALDH1A1 2058/4885
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 RAB9A 1191/4885KMT2A 1623/4885ALDH1A1 410/4885
US-20060276433-A1 Hydrazone derivative APP, PRNP, HTT RAB9A 3127/4885KMT2A 3533/4885ALDH1A1 1541/4885

“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.