SCHEMBL13490686

SCHEMBL13490686

Cc1nc2cc(C(=O)N[C@@H]3CCC[C@H](c4nc5ccccc5[nH]4)C3)ccc2[nH]1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CXCR6 O00574 1/20 0.46
CHEK1 O14757 1/20 0.44
HTR2B P41595 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
RAB9A P51151 1/20 0.42
SMYD3 Q9H7B4 1/20 0.41
USP30 Q70CQ3 1/20 0.41
GID4 Q8IVV7 1/20 0.41
GRM5 P41594 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
Trifluoroacetic Acid SCHEMBL3218339 0.94 CXCR6 (0.42) CXCR6CHEK1HTR2BSMN1; SMN2GID4
SCHEMBL13490684 0.87 EPHX2 (0.50) CXCR6CHEK1HTR2BSMN1; SMN2USP30
SCHEMBL13490663 0.86 SMN1; SMN2 (0.47) CXCR6CHEK1HTR2BSMN1; SMN2GID4
SCHEMBL13490682 0.86 RAB9A (0.62) CXCR6CHEK1RAB9A
SCHEMBL13490394 0.86 NPC1 (0.45) CXCR6CHEK1HTR2BSMN1; SMN2SMYD3
SCHEMBL13490710 0.85 CHRM4 (0.47) CXCR6CHEK1HTR2BSMN1; SMN2RAB9A
SCHEMBL14192843 0.85 CHRM4 (0.47) CXCR6CHEK1HTR2BSMN1; SMN2RAB9A
SCHEMBL14192836 0.85 CHEK1 (0.46) CXCR6CHEK1HTR2BSMN1; SMN2USP30
Hydrochloric Acid SCHEMBL3215198 0.85 NPC1 (0.44) CXCR6CHEK1HTR2BSMN1; SMN2SMYD3
SCHEMBL13490701 0.85 HTR2B (0.46) CXCR6CHEK1HTR2BSMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029615-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2010-02-04 US disclosed
US-20100029615-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2010-02-04 US disclosed
WO-2008075196-A1 BENZIMIDAZOLE DERIVATIVES PFIZER PRODUCTS INC. (US) 2008-06-26 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-20100029615-A1 BENZIMIDAZOLE DERIVATIVES ACIN1, HAT1, CCNE1 CXCR6 3847/4885CHEK1 1651/4885HTR2B 3456/4885

“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.