SCHEMBL2278053

SCHEMBL2278053

Cn1cnc(-c2ccc(C3=CCN(C(=O)CCl)CC3)nc2)n1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 8/20 0.43
MAPK3 P27361 4/20 0.39
NAMPT P43490 7/20 0.39
WNT3A P56704 2/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C8 P10632 1/20 0.38
CNR1 P21554 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL22172725 0.92 MAPK1 (0.43) MAPK1MAPK3NAMPTCYP3A4CYP2C8
SCHEMBL2279054 0.89 MAPK1 (0.48) MAPK1MAPK3NAMPTCYP3A4CYP2C8
SCHEMBL1199749 0.84 ALDH1A1 (0.43) MAPK1NAMPTWNT3ACNR1MEN1
SCHEMBL2274299 0.82 GPR119 (0.52) NAMPTWNT3A
SCHEMBL18113533 0.81 MAPK1 (0.42) MAPK1MAPK3CYP3A4CYP2C8CNR1
SCHEMBL12374279 0.81 MAPK1 (0.47) MAPK1MAPK3NAMPTCYP3A4CYP2C8
SCHEMBL2274285 0.80 MAPK1 (0.38) MAPK1MAPK3CNR1MEN1KMT2A
SCHEMBL18113505 0.79 MAPK1 (0.42) MAPK1MAPK3CNR1MEN1KMT2A
SCHEMBL12403790 0.78 MAPK1 (0.48) MAPK1MAPK3NAMPTCYP3A4CYP2C8
SCHEMBL12374252 0.78 MAPK1 (0.37) MAPK1MAPK3NAMPTCYP3A4CYP2C8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210115058-A1 SPIROCYCLIC COMPOUNDS RECURIUM IP HOLDINGS, LLC 2021-04-22 US disclosed
US-10934304-B2 Spirocyclic compounds RECURIUM IP HOLDINGS, LLC (US) 2021-03-02 US disclosed
US-20200207776-A1 SPIROCYCLIC COMPOUNDS Zeno Royalties & Milestones, LLC 2020-07-02 US disclosed
WO-2018067512-A1 SPIROCYCLIC COMPOUNDS KALYRA PHARMACEUTICALS, INC. (US) 2018-04-12 WO disclosed
EP-2260031-B1 COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2015-10-07 EP disclosed
US-8716483-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-06 US disclosed
US-8716483-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-06 US disclosed
US-8716483-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-06 US disclosed
US-20110189192-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME LLC 2011-08-04 US disclosed
US-20110189192-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME LLC 2011-08-04 US disclosed
US-20110189192-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME LLC 2011-08-04 US disclosed
EP-2260031-A1 COMPOUNDS THAT ARE ERK INHIBITORS Schering Corporation (US) 2010-12-15 EP disclosed
WO-2009105500-A1 COMPOUNDS THAT ARE ERK INHIBITORS SCHERING CORPORATION (US) 2009-08-27 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 (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-20210115058-A1 SPIROCYCLIC COMPOUNDS PKD1, AR, PKD2 MAPK1 3219/4885MAPK3 3010/4885NAMPT 416/4885
US-20110189192-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAPK10 MAPK1 1/4885MAPK3 6/4885NAMPT 1183/4885
US-20200207776-A1 SPIROCYCLIC COMPOUNDS PKD1, AR, PKD2 MAPK1 3219/4885MAPK3 3010/4885NAMPT 416/4885
US-10934304-B2 Spirocyclic compounds PKD1, AR, PKD2 MAPK1 3219/4885MAPK3 3010/4885NAMPT 416/4885

“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.