SCHEMBL1788950

SCHEMBL1788950

O=C(CBr)c1c(-c2cccc(Br)c2)nc2ccccn12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.47
▸ MAPT P10636 2/20 0.44
▸ MAPK1 P28482 1/20 0.43
▸ MARK4 Q96L34 6/20 0.42
▸ NTRK1 P04629 1/20 0.42
▸ TUBB4A P04350 1/20 0.42
▸ TUBB P07437 1/20 0.42
▸ TUBA3C P0DPH7 1/20 0.42
▸ TUBA1B P68363 1/20 0.42
▸ TUBA4A P68366 1/20 0.42
▸ TUBB4B P68371 1/20 0.42
▸ TUBB3 Q13509 1/20 0.42
▸ TUBB2A Q13885 1/20 0.42
▸ TUBB8 Q3ZCM7 1/20 0.42
▸ TUBA3E Q6PEY2 1/20 0.42
▸ TUBA1A Q71U36 1/20 0.42

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
SCHEMBL12651708 0.89 SMN1; SMN2 (0.48) SMN1; SMN2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL1786995 0.85 KMT2A (0.55) SMN1; SMN2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL20579818 0.79 CYP1A2 (0.54) SMN1; SMN2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL12651709 0.76 ALDH1A1 (0.46) SMN1; SMN2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL24122954 0.75 NPC1 (0.48) SMN1; SMN2ALDH1A1MAPTNTRK1TUBB4A
SCHEMBL23509651 0.75 AKT2 (0.51) SMN1; SMN2ALDH1A1MAPTNTRK1CFTR
SCHEMBL27465082 0.74 CYP1A2 (0.70) SMN1; SMN2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL197826 0.73 KMT2A (0.68) SMN1; SMN2CYP1A2CYP2C9CYP2C19ALDH1A1
Bromide SCHEMBL21996101 0.72 KMT2A (0.66) SMN1; SMN2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL22673492 0.72 NPC1 (0.53) ALDH1A1MAPTNTRK1CFTRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051315-B2 Imidazopyridines as a novel scaffold for multi-targeted kinase inhibition ABBVIE INC. (US) 2015-06-09 — — US disclosed
EP-2496574-A1 IMIDAZOPYRIDINES AS A NOVEL SCAFFOLD FOR MULTI-TARGETED KINASE INHIBITION Abbott Laboratories (US) 2012-09-12 — — EP disclosed
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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