SCHEMBL640929

SCHEMBL640929

Cc1cncc(/C(N)=N/O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.52
ATM Q13315 1/20 0.47
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41
SMYD3 Q9H7B4 3/20 0.40
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
LMNA P02545 1/20 0.38
GFER P55789 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
RECQL P46063 1/20 0.36
KDM1A O60341 2/20 0.36
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
C1S P09871 1/20 0.34
PRSS3 P35030 1/20 0.34
CSNK1D P48730 1/20 0.33

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
SCHEMBL640930 1.00 HCAR2 (0.52) HCAR2ATMCHRNB2CHRNA4SMYD3
SCHEMBL29478735 1.00 HCAR2 (0.52) HCAR2ATMCHRNB2CHRNA4SMYD3
SCHEMBL14395304 0.78 HCAR2 (0.53) HCAR2ATMSMYD3LMNAGFER
SCHEMBL2477676 0.76 PRSS1 (0.52) LMNAGFERKMT2AL3MBTL1RAB9A
SCHEMBL24844633 0.76 HCAR2 (0.52) HCAR2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL14755489 0.76 HCAR2 (0.52) HCAR2CHRNB2CHRNA4SMYD3CHRNB4
SCHEMBL4217221 0.76 POLB (0.52) HCAR2CHRNB2CHRNA4SMYD3CHRNB4
SCHEMBL4217215 0.76 POLB (0.52) HCAR2CHRNB2CHRNA4SMYD3CHRNB4
SCHEMBL31192058 0.76 MKNK2 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3LMNA
SCHEMBL14755452 0.76 MKNK2 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220259193-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2022-08-18 US disclosed
CN-114269340-A KCNT1 inhibitors and methods of use 普拉克西斯精密药物股份有限公司 2022-04-01 CN disclosed
EP-3962481-A1 KCNT1 INHIBITORS AND METHODS OF USE Praxis Precision Medicines, Inc. (US) 2022-03-09 EP disclosed
WO-2020227101-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2020-11-12 WO disclosed
WO-2013031694-A1 AMINE COMPOUND AND SALT THEREOF 富山化学工業株式会社 (JP) 2013-03-07 WO disclosed
US-8119663-B2 Heteroaryl-substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-21 US disclosed
EP-2227466-B1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AG (DE) 2011-04-20 EP disclosed
EP-2227466-A2 HETEROARYL-SUBSTITUTED PIPERIDINES Bayer Schering Pharma Aktiengesellschaft (DE) 2010-09-15 EP disclosed
US-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER HEALTHCARE AG (DE) 2009-12-10 US disclosed
WO-2009068214-A2 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-06-04 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 (2 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-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 HCAR2 105/4885ATM 4056/4885CHRNB2 4680/4885
US-20220259193-A1 KCNT1 INHIBITORS AND METHODS OF USE KCNT1, KCNT2, KCNQ2 HCAR2 1275/4885ATM 2954/4885CHRNB2 131/4885

“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.