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SCHEMBL1327744

SCHEMBL1327744

CN(C)c1ccc(C(=O)NCc2ccccc2C#Cc2ccnc3[nH]ccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NEK1 Q96PY6 1/20 0.42
▸ BTK Q06187 6/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ PDGFRB P09619 1/20 0.38
▸ KIT P10721 1/20 0.38
▸ FLT3 P36888 1/20 0.38
▸ MAP3K19 Q56UN5 1/20 0.38
▸ CIT O14578 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ NR1H4 Q96RI1 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ ROCK2 O75116 2/20 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
SCHEMBL1328341 0.89 BTK (0.49) NEK1BTKALDH1A1KMT2ASMN1; SMN2
SCHEMBL1327519 0.86 KMT2A (0.49) NEK1BTKKDM4EALDH1A1HTT
SCHEMBL12127434 0.83 NEK1 (0.52) NEK1BTKKDM4EALDH1A1HTT
SCHEMBL27847620 0.79 NUDT1 (0.38) NEK1BTKLMNASMN1; SMN2PRKD3
SCHEMBL1327513 0.78 NUDT1 (0.37) NEK1BTKCITPRKD3MAP4K4
SCHEMBL1328371 0.78 ANO1 (0.40) BTKKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL1328119 0.78 NUDT1 (0.37) NEK1BTKCITPRKD3MAP4K4
SCHEMBL1328693 0.77 JAK1 (0.41) BTKKMT2AMEN1
SCHEMBL1327814 0.77 BTK (0.47) BTKHTTKMT2AMEN1MAPT
SCHEMBL1327987 0.76 PTK2 (0.43) CITPRKD3MAP4K4PRKACACSNK1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110282056-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-11-17 — — US claimed
CN-101918079-A Protein kinase inhibitors and use thereof MERCK SERONO SA 2010-12-15 — — CN claimed
EP-2231282-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF Merck Patent GmbH (DE) 2010-09-29 — — EP claimed
WO-2009094123-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK SERONO S.A. (CH) 2009-07-30 — — WO claimed
US-20110282056-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-11-17 — — US disclosed
US-20110282056-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-11-17 — — US disclosed
CN-101918079-A Protein kinase inhibitors and use thereof MERCK SERONO SA 2010-12-15 — — CN 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-20110282056-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MAP3K19, MAP3K20, MAP3K1 NEK1 224/4885BTK 178/4885KDM4E 1543/4885

“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.