SCHEMBL3724207

SCHEMBL3724207

COc1ccc(CN(c2cc(N[C@H]3CC[C@H](NC(=O)OC(C)(C)C)CC3)nn3c(C(=O)O)cnc23)C2CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 1/20 0.39
▸ MTOR P42345 1/20 0.39
▸ PRKDC P78527 1/20 0.39
▸ BTK Q06187 3/20 0.38
▸ TTK P33981 1/20 0.36
▸ TYK2 P29597 2/20 0.35
▸ CFTR P13569 3/20 0.35
▸ PDE2A O00408 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CACNA1B Q00975 1/20 0.34
▸ CKS1B P61024 1/20 0.33
▸ SKP1 P63208 1/20 0.33
▸ SKP2 Q13309 1/20 0.33
▸ CETP P11597 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CCNE1 P24864 1/20 0.32
▸ CDK2 P24941 1/20 0.32

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
SCHEMBL3726760 1.00 PIK3CA (0.39) PIK3CAMTORPRKDCBTKTTK
SCHEMBL13013622 0.86 PIK3CA (0.36) PIK3CAMTORPRKDCBTKTTK
SCHEMBL13745149 0.86 PIK3CA (0.36) PIK3CAMTORPRKDCBTKTTK
SCHEMBL178412 0.81 PIK3CA (0.38) PIK3CAMTORPRKDCBTKTTK
SCHEMBL3022795 0.81 PIK3CA (0.38) PIK3CAMTORPRKDCBTKTTK
SCHEMBL3716732 0.79 TYK2 (0.34) TTKTYK2
SCHEMBL3716735 0.79 TYK2 (0.34) TTKTYK2
SCHEMBL3722490 0.77 CCNE1 (0.38) BTKTYK2CCNE1CDK2FLT3
SCHEMBL3722488 0.77 CCNE1 (0.38) BTKTYK2CCNE1CDK2FLT3
SCHEMBL3667219 0.76 FYN (0.37) TYK2SLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2240488-B1 SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-11-02 — — EP 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-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
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 (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-20100323994-A1 SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL AS KINASE INHIBITORS MAP3K5, MAP4K2, MAP3K15 PIK3CA 99/4885MTOR 183/4885PRKDC 34/4885

“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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