SCHEMBL3610639

SCHEMBL3610639

Cc1c(Cl)ccc2cc(C(=O)NC3CCCNC3)[nH]c12

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.51
CHEK1 O14757 5/20 0.46
SMYD3 Q9H7B4 2/20 0.45
MAPK1 P28482 1/20 0.45
OPRK1 P41145 1/20 0.45
PBK Q96KB5 6/20 0.44
GHSR Q92847 3/20 0.44
NSD2 O96028 1/20 0.42
SETD2 Q9BYW2 1/20 0.42
CHRNA1 P02708 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA4 P43681 1/20 0.42
TOP2A P11388 1/20 0.42
CYP1A2 P05177 1/20 0.42
CDK2AP1 O14519 1/20 0.41

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
SCHEMBL3618497 1.00 SYK (0.51) SYKCHEK1SMYD3MAPK1OPRK1
SCHEMBL3610636 1.00 SYK (0.51) SYKCHEK1SMYD3MAPK1OPRK1
SCHEMBL3611294 0.93 SMYD3 (0.47) SYKCHEK1SMYD3PBKGHSR
SCHEMBL3616197 0.93 SMYD3 (0.47) SYKCHEK1SMYD3PBKGHSR
SCHEMBL3611297 0.93 SMYD3 (0.47) SYKCHEK1SMYD3PBKGHSR
SCHEMBL25532114 0.83 MAPK1 (0.47) SYKCHEK1SMYD3MAPK1OPRK1
SCHEMBL3610802 0.82 SMYD3 (0.67) SYKCHEK1SMYD3MAPK1OPRK1
SCHEMBL3610798 0.82 SMYD3 (0.67) SYKCHEK1SMYD3MAPK1OPRK1
SCHEMBL4558593 0.81 HRH4 (0.51) SYKCHEK1SMYD3MAPK1OPRK1
SCHEMBL3611824 0.80 SMYD3 (0.47) SYKSMYD3PBKNSD2SETD2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-02-11 US claimed
US-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-02-11 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-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF IDO2, IDO1, INMT SYK 3494/4885CHEK1 1121/4885SMYD3 811/4885

“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.