SCHEMBL16434801

SCHEMBL16434801

COc1cccc(C2=CCNCC2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.45
HTR2C P28335 6/20 0.44
QDPR P09417 2/20 0.43
BTK Q06187 1/20 0.42
PIM1 P11309 1/20 0.41
PIM3 Q86V86 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40
HTR6 P50406 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
HTR1D P28221 1/20 0.39
MAPK1 P28482 1/20 0.39
BRCA1 P38398 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL31651838 1.00 SIGMAR1 (0.45) SIGMAR1HTR2CQDPRBTKPIM1
Hydrochloric Acid SCHEMBL16423084 0.98 HTR2C (0.46) SIGMAR1HTR2CQDPRBTKPIM1
SCHEMBL25955737 0.84 HTR6 (0.42) SIGMAR1HTR2CQDPRPIM1PIM3
SCHEMBL5341889 0.81 HTR2C (0.51) SIGMAR1HTR2CQDPRPIM1PIM3
SCHEMBL30454060 0.81 HTR2C (0.51) SIGMAR1HTR2CQDPRPIM1PIM3
SCHEMBL171596 0.80 PIM1 (0.51) SIGMAR1HTR2CQDPRPIM1PIM3
SCHEMBL171110 0.76 SIGMAR1 (0.49) SIGMAR1HTR2CQDPRPIM1PIM3
SCHEMBL3453255 0.76 HTR2C (0.51) SIGMAR1HTR2CQDPRPIM1PIM3
SCHEMBL13490658 0.76 SIGMAR1 (0.49) SIGMAR1HTR2CQDPRPIM1PIM3
SCHEMBL7940586 0.76 SIGMAR1 (0.49) SIGMAR1HTR2CQDPRPIM1PIM3

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-9403798-B2 Triazinone compound and T-type calcium channel inhibitor NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-08-02 US disclosed
US-9403798-B2 Triazinone compound and T-type calcium channel inhibitor NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-08-02 US disclosed
US-20150065705-A1 TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR NISSAN CHEMICAL CORPORATION (JP) 2015-03-05 US disclosed
US-20150065705-A1 TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR NISSAN CHEMICAL CORPORATION (JP) 2015-03-05 US disclosed
EP-2832728-A1 TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR Nissan Chemical Industries, Ltd. (JP) 2015-02-04 EP 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-20150065705-A1 TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR CACNA1E, CACNA1I, CACNA1G SIGMAR1 624/4885HTR2C 308/4885QDPR 1209/4885

“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.