SCHEMBL10139845

SCHEMBL10139845

N#Cc1cccc(C(=O)N2CCc3[nH]c4ncc(Cl)cc4c3C2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.47
GRM5 P41594 6/20 0.47
BAZ2B Q9UIF8 2/20 0.43
ELANE P08246 1/20 0.41
CTSK P43235 2/20 0.41
CYP3A4 P08684 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
MCL1 Q07820 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
PRLHR P49683 1/20 0.40
ABCB1 P08183 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40

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
Hydrochloric Acid SCHEMBL407051 0.99 CFTR (0.49) CFTRGRM5BAZ2BELANECTSK
SCHEMBL10139841 0.90 CFTR (0.49) CFTRBAZ2BCTSKCYP3A4MEN1
Hydrochloric Acid SCHEMBL409052 0.89 CFTR (0.51) CFTRBAZ2BCTSKCYP3A4MEN1
SCHEMBL10139838 0.88 BAZ2B (0.50) CFTRGRM5BAZ2BCYP3A4MEN1
Hydrochloric Acid SCHEMBL408386 0.88 BAZ2B (0.49) CFTRGRM5BAZ2BCYP3A4MEN1
SCHEMBL10139827 0.86 CFTR (0.52) CFTRGRM5BAZ2BCYP3A4MEN1
Hydrochloric Acid SCHEMBL406670 0.85 CFTR (0.51) CFTRGRM5BAZ2BCYP3A4MEN1
SCHEMBL10139855 0.85 CDK4 (0.52) CFTRGRM5BAZ2BMEN1MAPT
Hydrochloric Acid SCHEMBL406799 0.84 CDK4 (0.51) CFTRGRM5BAZ2BMEN1MAPT
SCHEMBL10139825 0.83 BAZ2B (0.53) CFTRBAZ2BCTSKCYP3A4MEN1

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
EP-2367822-B1 TRICYCLIC AZAINDOLES MERCK PATENT GMBH (DE) 2016-10-05 EP claimed
EP-2367822-B1 TRICYCLIC AZAINDOLES MERCK PATENT GMBH (DE) 2016-10-05 EP disclosed
US-8853391-B2 Tricyclic azaindoles MERCK PATENT GMBH (DE) 2014-10-07 US disclosed
US-8853391-B2 Tricyclic azaindoles MERCK PATENT GMBH (DE) 2014-10-07 US disclosed
US-20120022060-A1 Tricyclic Azaindoles MERCK PATENT GMBH (DE) 2012-01-26 US disclosed
US-20120022060-A1 Tricyclic Azaindoles MERCK PATENT GMBH (DE) 2012-01-26 US disclosed
WO-2010080253-A1 TRICYCLIC AZAINDOLES MERCK PATENT GMBH (DE) 2010-07-15 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-20120022060-A1 Tricyclic Azaindoles AZI2, DCK, PPP2CA CFTR 3597/4885GRM5 1163/4885BAZ2B 506/4885

“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.