SCHEMBL1495055

SCHEMBL1495055

Cc1cccc2nc(-c3ccc(NC(=O)c4ccccc4F)cc3)cn12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.57
MAPT P10636 8/20 0.56
KDM4E B2RXH2 4/20 0.53
LMNA P02545 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
GAA P10253 1/20 0.53
RECQL P46063 1/20 0.53
BLM P54132 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
JAK1 P23458 1/20 0.51
SMN1; SMN2 Q16637 6/20 0.50
ALDH1A1 P00352 3/20 0.50
POLB P06746 1/20 0.47
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
HTT P42858 2/20 0.47
RXFP1 Q9HBX9 1/20 0.46
MAPK1 P28482 1/20 0.46
NFKB1 P19838 1/20 0.46

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
SCHEMBL1494923 0.87 SMN1; SMN2 (0.58) TP53MAPTKDM4ELMNATDP1
SCHEMBL1494790 0.87 SMO (0.61) TP53MAPTKDM4ELMNATDP1
SCHEMBL1494801 0.81 MAPT (0.71) TP53MAPTKDM4ELMNATDP1
SCHEMBL1494891 0.75 TP53 (0.66) TP53MAPTKDM4ELMNATDP1
SCHEMBL26604754 0.72 MAPT (0.57) TP53MAPTKDM4ELMNATDP1
SCHEMBL31683150 0.72 MAPT (0.57) TP53MAPTKDM4ELMNATDP1
SCHEMBL1104800 0.72 MAPT (0.61) TP53MAPTKDM4ELMNATDP1
SCHEMBL3367434 0.71 RAB9A (0.65) TP53MAPTKDM4ELMNATDP1
SCHEMBL12787103 0.71 HRH3 (0.56) TP53MAPTKDM4ELMNATDP1
SCHEMBL13581604 0.71 MEN1 (0.83) TP53MAPTKDM4ELMNATDP1

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 7 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

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 TP53 1151/4885MAPT 3985/4885KDM4E 2294/4885

“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.