SCHEMBL2274285

SCHEMBL2274285

Cn1cnc(-c2ccc(C3=CCN(C(=O)CCl)CC3)s2)n1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 8/20 0.38
JAK1 P23458 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK3 P27361 4/20 0.35
CNR1 P21554 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
KIT P10721 1/20 0.33
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL12403744 0.89 MAPK1 (0.38) MAPK1JAK1MEN1KMT2AMAPK3
SCHEMBL2279054 0.85 MAPK1 (0.48) MAPK1MEN1KMT2AMAPK3CNR1
SCHEMBL12374252 0.85 MAPK1 (0.37) MAPK1JAK1MEN1KMT2AMAPK3
SCHEMBL22173321 0.83 MAPK1 (0.36) MAPK1JAK1MEN1KMT2AMAPK3
SCHEMBL2276472 0.81 GPR119 (0.47) KITCDK9
SCHEMBL2278053 0.80 MAPK1 (0.43) MAPK1MEN1KMT2AMAPK3CNR1
SCHEMBL22172725 0.80 MAPK1 (0.43) MAPK1MEN1KMT2AMAPK3CNR1
SCHEMBL18113505 0.78 MAPK1 (0.42) MAPK1JAK1MEN1KMT2AMAPK3
SCHEMBL18113533 0.78 MAPK1 (0.42) MAPK1JAK1MAPK3CNR1CCNT1
SCHEMBL15662287 0.77 MAPK1 (0.52) MAPK1MAPK3

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 15 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
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
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 3219/4885JAK1 4478/4885MEN1 840/4885
US-20110189192-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAPK10 MAPK1 1/4885JAK1 146/4885MEN1 1520/4885
US-20200207776-A1 SPIROCYCLIC COMPOUNDS PKD1, AR, PKD2 MAPK1 3219/4885JAK1 4478/4885MEN1 840/4885
US-10934304-B2 Spirocyclic compounds PKD1, AR, PKD2 MAPK1 3219/4885JAK1 4478/4885MEN1 840/4885

“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.