SCHEMBL12651708

SCHEMBL12651708

NCC(=O)c1c(-c2cccc(Br)c2)nc2ccccn12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.46
▸ TUBB4A P04350 1/20 0.44
▸ TUBB P07437 1/20 0.44
▸ TUBA3C P0DPH7 1/20 0.44
▸ TUBA1B P68363 1/20 0.44
▸ TUBA4A P68366 1/20 0.44
▸ TUBB4B P68371 1/20 0.44
▸ TUBB3 Q13509 1/20 0.44
▸ TUBB2A Q13885 1/20 0.44
▸ TUBB8 Q3ZCM7 1/20 0.44
▸ TUBA3E Q6PEY2 1/20 0.44
▸ TUBA1A Q71U36 1/20 0.44
▸ TUBA1C Q9BQE3 1/20 0.44
▸ TUBB6 Q9BUF5 1/20 0.44
▸ TUBB2B Q9BVA1 1/20 0.44
▸ TUBB1 Q9H4B7 1/20 0.44

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
SCHEMBL1788950 0.89 SMN1; SMN2 (0.49) SMN1; SMN2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL1786995 0.84 KMT2A (0.55) SMN1; SMN2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL20579818 0.78 CYP1A2 (0.54) SMN1; SMN2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL12651709 0.77 ALDH1A1 (0.46) SMN1; SMN2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL24122954 0.74 NPC1 (0.48) SMN1; SMN2ALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL23509651 0.74 AKT2 (0.51) SMN1; SMN2ALDH1A1MAPTKMT2ANPC1
SCHEMBL27465082 0.73 CYP1A2 (0.70) SMN1; SMN2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL22673492 0.71 NPC1 (0.53) ALDH1A1MAPTKMT2ANPC1RAB9A
Hydrochloric Acid SCHEMBL5887507 0.71 ALDH1A1 (0.68) SMN1; SMN2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL16797994 0.71 CYP1A2 (0.63) SMN1; SMN2CYP1A2CYP2C9CYP2C19ALDH1A1

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-20110124632-A1 IMIDAZOPYRIDINES AS A NOVEL SCAFFOLD FOR MULTI-TARGETED KINASE INHIBITION ABBOTT LABORATORIES (US) 2011-05-26 — — US disclosed
WO-2011053476-A1 IMIDAZOPYRIDINES AS A NOVEL SCAFFOLD FOR MULTI-TARGETED KINASE INHIBITION ABBOTT LABORATORIES (US) 2011-05-05 — — 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-20110124632-A1 IMIDAZOPYRIDINES AS A NOVEL SCAFFOLD FOR MULTI-TARGETED KINASE INHIBITION PACSIN2, MAP4K2, MAP3K6 SMN1; SMN2 2442/4885CYP1A2 4754/4885CYP2C9 4835/4885

“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.

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