SCHEMBL1494832

SCHEMBL1494832

O=C(Nc1cccc(-c2cn3ccccc3n2)c1)c1ccc(F)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.83
SMN1; SMN2 Q16637 8/20 0.83
RAB9A P51151 5/20 0.83
POLB P06746 4/20 0.83
LMNA P02545 4/20 0.83
GFER P55789 1/20 0.83
ALDH1A1 P00352 12/20 0.72
MAPT P10636 4/20 0.72
KMT2A Q03164 3/20 0.72
MAPK1 P28482 3/20 0.67
HPGD P15428 6/20 0.65
NPC1 O15118 4/20 0.65
TP53 P04637 2/20 0.65
MEN1 O00255 1/20 0.62
CYP2C19 P33261 1/20 0.62
HTT P42858 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
PTK2B Q14289 1/20 0.61
PKM P14618 1/20 0.58
HSD17B10 Q99714 1/20 0.58

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
SCHEMBL4727616 0.90 KDM4E (0.82) KDM4ESMN1; SMN2RAB9APOLBLMNA
SCHEMBL1494756 0.86 RAB9A (0.79) KDM4ESMN1; SMN2RAB9APOLBLMNA
SCHEMBL4727282 0.85 KDM4E (0.77) KDM4ESMN1; SMN2RAB9APOLBLMNA
SCHEMBL29484580 0.84 ALDH1A1 (0.81) KDM4ESMN1; SMN2RAB9APOLBLMNA
SCHEMBL25312016 0.84 ALDH1A1 (0.81) KDM4ESMN1; SMN2RAB9APOLBLMNA
SCHEMBL28933829 0.82 ALDH1A1 (0.78) KDM4ESMN1; SMN2RAB9APOLBLMNA
SCHEMBL4781504 0.81 KDM4E (0.77) KDM4ESMN1; SMN2RAB9APOLBLMNA
SCHEMBL4726403 0.81 KDM4E (0.76) KDM4ESMN1; SMN2RAB9APOLBLMNA
SCHEMBL1494819 0.80 ALDH1A1 (1.00) KDM4ESMN1; SMN2RAB9APOLBLMNA
SCHEMBL4726858 0.80 SMN1; SMN2 (0.78) KDM4ESMN1; SMN2RAB9APOLBLMNA

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 6 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-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
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

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 KDM4E 2294/4885SMN1; SMN2 4057/4885RAB9A 1191/4885

“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.