SCHEMBL1283986

SCHEMBL1283986

COc1ccc2[nH]c(-c3cc(N4CCC(C(=O)N5CCOCC5)C4)ccc3Cl)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.51
CCNC P24863 2/20 0.48
CDK8 P49336 2/20 0.48
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.43
PRKAG1 P54619 1/20 0.43
PRKAA1 Q13131 1/20 0.43
PRKAB1 Q9Y478 1/20 0.43
ALDH1A1 P00352 3/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DGAT2 Q96PD7 4/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 1/20 0.39

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
SCHEMBL1284656 0.95 MAPT (0.49) NOTUMCCNCCDK8MAPTLMNA
SCHEMBL1625477 0.93 NOTUM (0.49) NOTUMMAPTPRKAG1PRKAA1PRKAB1
SCHEMBL1625269 0.92 NOTUM (0.49) NOTUMMAPTPRKAG1PRKAA1PRKAB1
SCHEMBL1284103 0.91 CCNC (0.48) NOTUMCCNCCDK8MAPTLMNA
SCHEMBL1625355 0.91 MAPT (0.43) NOTUMCCNCCDK8MAPTLMNA
SCHEMBL1284548 0.90 NOTUM (0.54) NOTUMCCNCCDK8MAPTLMNA
SCHEMBL1624849 0.89 DGAT2 (0.54) NOTUMPRKAG1PRKAA1PRKAB1DGAT2
SCHEMBL1625121 0.88 PRKAG1 (0.49) NOTUMMAPTLMNAPRKAG1PRKAA1
SCHEMBL1624550 0.88 NOTUM (0.51) NOTUMMAPTPRKAG1PRKAA1PRKAB1
SCHEMBL1623335 0.87 MAPT (0.49) NOTUMMAPTLMNAPRKAG1PRKAA1

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-8835648-B2 Hedgehog pathway antagonists and therapeutic applications thereof SIENA BIOTECH S.P.A. (IT) 2014-09-16 US claimed
EP-2440544-B1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH SPA (IT) 2013-08-14 EP claimed
US-20120088752-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2012-04-12 US claimed
US-8835648-B2 Hedgehog pathway antagonists and therapeutic applications thereof SIENA BIOTECH S.P.A. (IT) 2014-09-16 US disclosed
US-8835648-B2 Hedgehog pathway antagonists and therapeutic applications thereof SIENA BIOTECH S.P.A. (IT) 2014-09-16 US disclosed
US-8835648-B2 Hedgehog pathway antagonists and therapeutic applications thereof SIENA BIOTECH S.P.A. (IT) 2014-09-16 US disclosed
EP-2440544-B1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH SPA (IT) 2013-08-14 EP disclosed
EP-2440544-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF Siena Biotech S.p.A. (IT) 2012-04-18 EP disclosed
US-20120088752-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2012-04-12 US disclosed
US-20120088752-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2012-04-12 US disclosed
US-20120088752-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2012-04-12 US disclosed
WO-2010142426-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2010-12-16 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-20120088752-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SHH, GLI1, SMO NOTUM 4463/4885CCNC 2470/4885CDK8 736/4885

“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.