SCHEMBL16624116

SCHEMBL16624116

Cc1nc(Cl)nc(=O)n1Cc1ccc(C(F)(F)F)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 6/20 0.36
GRIN2B Q13224 6/20 0.36
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MCHR1 Q99705 2/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TP53 P04637 1/20 0.32
MDM2 Q00987 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
P2RX3 P56373 4/20 0.31
TDP1 Q9NUW8 1/20 0.31
CNR1 P21554 1/20 0.31

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
SCHEMBL16544605 0.88 GRIN1 (0.40) GRIN1GRIN2BKDM4EALDH1A1CYP1A2
SCHEMBL16422674 0.82 GRIN1 (0.35) GRIN1GRIN2BKDM4EMCHR1SMN1; SMN2
SCHEMBL18033563 0.79 GRIN1 (0.35) GRIN1GRIN2BMCHR1SMN1; SMN2TP53
SCHEMBL17993842 0.79 GRIN1 (0.33) GRIN1GRIN2BSMN1; SMN2
SCHEMBL16544606 0.78 GRIN1 (0.37) GRIN1GRIN2BKDM4EALDH1A1CYP1A2
SCHEMBL16422753 0.77 ALDH1A1 (0.41) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL16624038 0.77 GRIN1 (0.36) GRIN1GRIN2BKDM4EALDH1A1MCHR1
SCHEMBL16424809 0.76 HTR3E (0.40) GRIN1GRIN2BALDH1A1CYP1A2CYP2D6
SCHEMBL16624120 0.76 GNRHR (0.34)
SCHEMBL16544604 0.76 GRIN1 (0.36) GRIN1GRIN2BCYP1A2CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160237071-A1 T-TYPE CALCIUM CHANNEL INHIBITOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-08-18 US disclosed
EP-3053917-A1 T-TYPE CALCIUM CHANNEL BLOCKER Nissan Chemical Industries, Ltd. (JP) 2016-08-10 EP disclosed
EP-3053917-A1 T-TYPE CALCIUM CHANNEL BLOCKER Nissan Chemical Industries, Ltd. (JP) 2016-08-10 EP disclosed
WO-2015050212-A1 T-TYPE CALCIUM CHANNEL BLOCKER 日産化学工業株式会社 2015-04-09 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 (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-20160237071-A1 T-TYPE CALCIUM CHANNEL INHIBITOR CACNA1I, CACNA1G, CACNA1H GRIN1 1068/4885GRIN2B 1695/4885KDM4E 3594/4885

“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.