SCHEMBL16423716

SCHEMBL16423716

Nc1ccc(Br)nc1C#Cc1cccc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 15/20 0.48
KCNH2 Q12809 1/20 0.42
ABL1 P00519 1/20 0.41
SLC6A2 P23975 1/20 0.35
CYP2D6 P10635 1/20 0.35
ADK P55263 1/20 0.34

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
SCHEMBL17199267 0.85 GRM5 (0.50) GRM5KCNH2ABL1SLC6A2ADK
SCHEMBL3881087 0.82 GRM5 (0.70) GRM5KCNH2ABL1SLC6A2
Hydrochloric Acid SCHEMBL3881392 0.81 GRM5 (0.68) GRM5KCNH2ABL1SLC6A2
SCHEMBL4562631 0.73 KCNH2 (0.67) GRM5KCNH2CYP2D6
SCHEMBL30707869 0.73 KCNH2 (0.67) GRM5KCNH2CYP2D6
SCHEMBL15021802 0.73 GRM5 (0.42) GRM5KCNH2
SCHEMBL15750940 0.71 GRM5 (0.37) GRM5CYP2D6
SCHEMBL15750733 0.71 GRM5 (0.41) GRM5
Charcoal, Activated SCHEMBL31286308 0.71 KCNH2 (0.64) GRM5KCNH2CYP2D6
SCHEMBL3873127 0.70 GRM5 (0.71) GRM5KCNH2ABL1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150045551-A1 FUSED AZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-02-12 US disclosed
US-20150045551-A1 FUSED AZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-02-12 US disclosed
US-20150045551-A1 FUSED AZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-02-12 US disclosed
EP-2832722-A1 FUSED AZOLE DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2015-02-04 EP disclosed
EP-2832722-A1 FUSED AZOLE DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2015-02-04 EP 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-20150045551-A1 FUSED AZOLE DERIVATIVE AVPR1B, AVPR1A, GRIN2B GRM5 144/4885KCNH2 3136/4885ABL1 1660/4885

“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.