SCHEMBL1494801

SCHEMBL1494801

O=C(Nc1ccc(-c2cn3ccccc3n2)cc1)c1ccccc1F

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.71
TP53 P04637 1/20 0.71
CYP1A2 P05177 1/20 0.66
KDM4E B2RXH2 9/20 0.65
NPC1 O15118 8/20 0.65
SMN1; SMN2 Q16637 7/20 0.65
KMT2A Q03164 5/20 0.65
ALDH1A1 P00352 5/20 0.65
MEN1 O00255 3/20 0.65
HPGD P15428 3/20 0.65
HTT P42858 2/20 0.65
CYP2C19 P33261 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
RAB9A P51151 9/20 0.64
POLB P06746 4/20 0.64
TDP1 Q9NUW8 2/20 0.64
PKM P14618 1/20 0.64
MAPK1 P28482 2/20 0.59
LMNA P02545 2/20 0.55
GFER P55789 2/20 0.55

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
SCHEMBL1494680 0.86 NPC1 (0.72) MAPTCYP1A2KDM4ENPC1SMN1; SMN2
SCHEMBL1495002 0.86 CYP1A2 (0.72) MAPTTP53CYP1A2KDM4ENPC1
SCHEMBL12765291 0.85 KDM4E (0.64) MAPTTP53CYP1A2KDM4ENPC1
SCHEMBL13381558 0.84 CYP1A2 (0.63) MAPTTP53CYP1A2KDM4ENPC1
SCHEMBL4727131 0.83 KDM4E (0.64) MAPTTP53CYP1A2KDM4ENPC1
SCHEMBL19322176 0.83 KDM4E (0.82) MAPTCYP1A2KDM4ENPC1SMN1; SMN2
SCHEMBL1494891 0.82 TP53 (0.66) MAPTTP53KDM4ENPC1SMN1; SMN2
SCHEMBL31683150 0.82 MAPT (0.57) MAPTTP53CYP1A2KDM4ENPC1
SCHEMBL26604754 0.82 MAPT (0.57) MAPTTP53CYP1A2KDM4ENPC1
SCHEMBL1495055 0.81 TP53 (0.57) MAPTTP53KDM4ENPC1SMN1; 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 8 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-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
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-2008029152-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2008-03-13 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 MAPT 3985/4885TP53 1151/4885CYP1A2 3501/4885

“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.