SCHEMBL17437367

SCHEMBL17437367

O=C(Cc1nc2c(F)cc(F)cc2[nH]1)NC1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
ACKR3 P25106 1/20 0.40
F10 P00742 1/20 0.39
CACNA1H O95180 3/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GNAI3 P08754 1/20 0.37
GNAO1 P09471 1/20 0.37
GNAI1 P63096 1/20 0.37
CACNA1G O43497 1/20 0.37
PARP1 P09874 3/20 0.37
PARP2 Q9UGN5 1/20 0.37
TNKS O95271 2/20 0.36
TNKS2 Q9H2K2 2/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
DHODH Q02127 1/20 0.36
MLLT1 Q03111 1/20 0.36

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
SCHEMBL17437595 0.78 CACNA1H (0.65) CACNA1HCACNA1G
SCHEMBL17437470 0.70 CACNA1H (0.49) F10CACNA1HMEN1KMT2APARP1
SCHEMBL6485031 0.70 F10 (0.37) F10CACNA1HCACNA1GPARP1PARP2
SCHEMBL4274078 0.70 PARP1 (0.41) F10CACNA1HPARP1PARP2TNKS
SCHEMBL1360362 0.68 CCR2 (0.52) CACNA1HCACNA1GPARP1
SCHEMBL3638096 0.67 SIGMAR1 (0.58) MEN1KMT2A
SCHEMBL29439058 0.66 F10 (0.48) F10CACNA1HEGLN1
SCHEMBL4269239 0.66 F10 (0.51) F10CACNA1HCACNA1GEGLN1
SCHEMBL8023857 0.66 SIGMAR1 (0.64) KMT2ACHRM1CHRM3
SCHEMBL8035638 0.65 SIGMAR1 (0.61) MEN1KMT2ACHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10208023-B2 Heterocyclic inhibitors of the sodium channel DeGiacomo, Mark G. (US) 2019-02-19 US disclosed
US-10208023-B2 Heterocyclic inhibitors of the sodium channel DeGiacomo, Mark G. (US) 2019-02-19 US disclosed
US-20170107203-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL EPIRUS BIOPHARMACEUTICALS, INC. (US) 2017-04-20 US disclosed
US-20170107203-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL EPIRUS BIOPHARMACEUTICALS, INC. (US) 2017-04-20 US disclosed
US-20160016939-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL NATIONAL CENTER FOR ADDICTION STUDIES AND TREATMENT FOUNDATION 2016-01-21 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 (3 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-10208023-B2 Heterocyclic inhibitors of the sodium channel SCN1B, TRPV1, SCN1A CCNA2 3138/4885CDK2 1726/4885ACKR3 4589/4885
US-20160016939-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL SCN1B, TRPV1, SCN1A CCNA2 3138/4885CDK2 1726/4885ACKR3 4589/4885
US-20170107203-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL SCN1B, SCN1A, CACNA1S CCNA2 3075/4885CDK2 2569/4885ACKR3 3289/4885

“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.