SCHEMBL1690338

SCHEMBL1690338

CC(C)(C)c1nc(-c2ccc(C(N)=O)cc2)c[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.45
▸ CAMKK2 Q96RR4 1/20 0.42
▸ MAP4K4 O95819 3/20 0.41
▸ MKNK2 Q9HBH9 5/20 0.40
▸ MKNK1 Q9BUB5 4/20 0.40
▸ PIM1 P11309 3/20 0.40
▸ PIM3 Q86V86 3/20 0.40
▸ CHEK1 O14757 2/20 0.40
▸ PIM2 Q9P1W9 2/20 0.40
▸ CDC7 O00311 1/20 0.40
▸ PLK4 O00444 1/20 0.40
▸ MAPK13 O15264 1/20 0.40
▸ PDPK1 O15530 1/20 0.40
▸ DAPK3 O43293 1/20 0.40
▸ DYRK3 O43781 1/20 0.40
▸ ROCK2 O75116 1/20 0.40
▸ PRKD3 O94806 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ PRKCG P05129 1/20 0.40
▸ CDK1 P06493 1/20 0.40

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
SCHEMBL18970160 0.86 MAPK1 (0.41) MAPK1CAMKK2MAP4K4MKNK2MKNK1
SCHEMBL1690269 0.85 WDR5 (0.40) —
SCHEMBL1690244 0.81 SLC22A12 (0.42) RXRASLC22A12
SCHEMBL15676690 0.80 MAPK1 (0.48) MAPK1CAMKK2MAP4K4MKNK2MKNK1
SCHEMBL14421616 0.77 KMT2A (0.41) —
SCHEMBL17066287 0.77 NPC1 (0.46) CLK2HIPK2
SCHEMBL1690333 0.77 RXRA (0.49) SYKCAMK2ARXRA
Hydrochloric Acid SCHEMBL4393230 0.76 MAPK1 (0.48) MAPK1CAMKK2MAP4K4MKNK2MKNK1
SCHEMBL1690356 0.76 BCAT2 (0.47) MAPK1PIM1PIM3CHEK1CDC7
SCHEMBL18970248 0.76 MAPK1 (0.45) MAPK1CAMKK2MAP4K4MKNK2MKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170166560-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-06-15 — — US disclosed
US-20170166560-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-06-15 — — US disclosed
US-9617224-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-04-11 — — US disclosed
US-9617224-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-04-11 — — US disclosed
US-20150259297-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-09-17 — — US disclosed
US-9079860-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-07-14 — — US disclosed
US-20140206706-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-07-24 — — US disclosed
US-8716492-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-06 — — US disclosed
US-20120088758-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-04-12 — — US disclosed
US-8101778-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-24 — — US disclosed
US-20090036438-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-05 — — US disclosed
US-7453002-B2 thrombotic or an inflammatory disorders; improved factor XIa and/or plasma kallikrein inhibitory activity and selectivity, dosage requirment, costs or feasibility, side effect reduction; 4-(aminomethyl)-N-[2-phenyl-1-(4-pyridin-2-yl-1H-imidazol-2-yl)ethyl]-trans-cyclohexanecarboxamide BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-18 — — 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 (5 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-20170166560-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 MAPK1 1144/4885CAMKK2 3930/4885MAP4K4 518/4885
US-20120088758-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 MAPK1 1144/4885CAMKK2 3930/4885MAP4K4 518/4885
US-20150259297-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 MAPK1 1144/4885CAMKK2 3930/4885MAP4K4 518/4885
US-20140206706-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 MAPK1 1144/4885CAMKK2 3930/4885MAP4K4 518/4885
US-20090036438-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 MAPK1 1144/4885CAMKK2 3930/4885MAP4K4 518/4885

“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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