SCHEMBL12064450

SCHEMBL12064450

CCc1ccc2cnc(N)cc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 3/20 0.53
▸ NOS1 P29475 3/20 0.53
▸ NOS2 P35228 3/20 0.53
▸ PDPK1 O15530 1/20 0.52
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2A6 P11509 1/20 0.47
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ PIK3CB P42338 1/20 0.40
▸ ABL1 P00519 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PTK2B Q14289 1/20 0.39
▸ GABRP O00591 1/20 0.39
▸ GABRD O14764 1/20 0.39

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
SCHEMBL14511412 0.81 PDPK1 (0.47) NOS3NOS1NOS2PDPK1PIK3CB
SCHEMBL805508 0.79 CYP1A2 (0.53) NOS3NOS1NOS2CYP1A2CYP2A6
SCHEMBL9883137 0.78 CYP1A2 (0.47) NOS3NOS1NOS2CYP1A2CYP2A6
SCHEMBL19843833 0.78 CYP1A2 (0.47) NOS3NOS1NOS2CYP1A2CYP2A6
SCHEMBL25917114 0.75 CYP1A2 (0.44) NOS3NOS1NOS2CYP1A2CYP2A6
SCHEMBL14084760 0.75 CYP1A2 (0.48) NOS3NOS1NOS2CYP1A2CYP2A6
SCHEMBL12727819 0.75 CYP1A2 (0.44) NOS3NOS1NOS2CYP1A2CYP2A6
SCHEMBL1878783 0.75 CYP2A6 (0.76) NOS3NOS1NOS2CYP1A2CYP2A6
SCHEMBL29475635 0.75 CYP2A6 (0.76) NOS3NOS1NOS2CYP1A2CYP2A6
SCHEMBL557850 0.75 PDPK1 (0.57) NOS3NOS1NOS2PDPK1CYP1A2

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
US-8084479-B2 Thiazole compounds and methods of use AMGEN INC. (US) 2011-12-27 — — US disclosed
US-7919504-B2 Thiadiazole modulators of PKB AMGEN INC. (US) 2011-04-05 — — US disclosed
US-7897619-B2 Heterocyclic modulators of PKB AMGEN INC. (US) 2011-03-01 — — US disclosed
US-20090298836-A1 Thiadiazole modulators of PKB AMGEN INC. (US) 2009-12-03 — — US disclosed
US-20090275592-A1 Heterocyclic modulators of PKB AMGEN INC. (US) 2009-11-05 — — US disclosed
US-20090270445-A1 Thiazole compounds and methods of use AMGEN INC. (US) 2009-10-29 — — US disclosed
US-7456195-B2 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 — — US disclosed
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 — — US 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 (4 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-20090298836-A1 Thiadiazole modulators of PKB PDK1, PDK2, MTOR NOS3 1354/4885NOS1 1749/4885NOS2 1279/4885
US-20090275592-A1 Heterocyclic modulators of PKB MTOR, PDK1, EIF4EBP1 NOS3 1793/4885NOS1 1801/4885NOS2 1534/4885
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants F12, F11, F7 NOS3 2519/4885NOS1 2159/4885NOS2 2613/4885
US-20090270445-A1 Thiazole compounds and methods of use MTOR, JAK2, TK2 NOS3 2910/4885NOS1 2801/4885NOS2 1806/4885

“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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