Sugi Predict

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Imidazole

Imidazole

SCHEMBL3721970

NC(=O)c1cccnn1.c1c[nH]cn1

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.41
▸ FKBP5 Q13451 1/20 0.41
▸ AHR P35869 1/20 0.38
▸ SIRT2 Q8IXJ6 2/20 0.35
▸ SIRT1 Q96EB6 2/20 0.35
▸ SIRT3 Q9NTG7 2/20 0.35
▸ F7 P08709 1/20 0.35
▸ F3 P13726 1/20 0.35
▸ SARM1 Q6SZW1 1/20 0.35
▸ SIRT6 Q8N6T7 1/20 0.35
▸ SIRT5 Q9NXA8 1/20 0.35
▸ SIRT4 Q9Y6E7 1/20 0.35
▸ CES1 P23141 1/20 0.35
▸ NNMT P40261 1/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ FAAH O00519 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33

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
Imidazole SCHEMBL15718885 0.86 P2RX7 (0.44) P2RX7ALDH1A1FKBP5AHRCES1
Pyrrole SCHEMBL2231536 0.83 P2RX7 (0.56) P2RX7AHRSIRT2SIRT1SIRT3
SCHEMBL29374491 0.83 — —
SCHEMBL667511 0.83 — —
Water SCHEMBL30487780 0.81 P2RX7 (0.60) P2RX7AHRSIRT2SIRT1SIRT3
SCHEMBL27790761 0.81 — —
Hydrochloric Acid SCHEMBL17842884 0.81 P2RX7 (0.60) P2RX7AHRSIRT2SIRT1SIRT3
Hydrochloric Acid SCHEMBL28317610 0.81 P2RX7 (0.60) P2RX7AHRSIRT2SIRT1SIRT3
Imidazole SCHEMBL853164 0.79 CES2 (0.47) ALDH1A1FKBP5CES1KMT2AMEN1
SCHEMBL2297137 0.77 P2RX7 (0.45) P2RX7AHRSIRT2SIRT1SIRT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170029441-A1 AMIDO-SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE AND/OR ANGIOGENESIS DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-02-02 — — US disclosed
EP-2240488-B1 SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-11-02 — — EP disclosed
US-8389527-B2 Substituted imidazopyridazines useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-05 — — US disclosed
US-20100323994-A1 SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-23 — — US disclosed
EP-2240488-A1 SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2010-10-20 — — EP disclosed
WO-2009100375-A1 SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-13 — — 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 (2 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-20170029441-A1 AMIDO-SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE AND/OR ANGIOGENESIS DISORDERS VEGFA, PGF, FLT1 P2RX7 1099/4885ALDH1A1 1490/4885FKBP5 247/4885
US-20100323994-A1 SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL AS KINASE INHIBITORS MAP3K5, MAP4K2, MAP3K15 P2RX7 3303/4885ALDH1A1 1584/4885FKBP5 936/4885

“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.