SCHEMBL15910830

SCHEMBL15910830

CSc1nnc(C(N)=O)c(Nc2cncc(-c3ccc(C(C)=O)s3)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2A6 P11509 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ IKBKE Q14164 1/20 0.39
▸ TBK1 Q9UHD2 1/20 0.39
▸ SYK P43405 1/20 0.36
▸ DYRK1A Q13627 2/20 0.34
▸ FYN P06241 1/20 0.34
▸ BTK Q06187 1/20 0.33
▸ PGR P06401 1/20 0.32
▸ NSD2 O96028 1/20 0.32
▸ WNT1 P04628 3/20 0.32
▸ TGFBR1 P36897 2/20 0.32
▸ HSD17B1 P14061 1/20 0.32
▸ HSD17B2 P37059 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ NPC1 O15118 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
SCHEMBL29557791 0.71 PPARG (0.47) CYP3A4CYP2C9CYP2C19TGFBR1KDM4E
SCHEMBL25416754 0.71 PPARG (0.47) CYP3A4CYP2C9CYP2C19TGFBR1KDM4E
SCHEMBL18283748 0.67 RAB9A (0.41) SYKBTKKDM4EALDH1A1RAB9A
SCHEMBL16764284 0.67 KDR (0.47) SYKBTKKDM4EALDH1A1RAB9A
SCHEMBL18283421 0.67 ALK (0.47) SYKDYRK1AALDH1A1SMN1; SMN2HTT
SCHEMBL15910647 0.65 SYK (0.58) CYP3A4SYKBTKALDH1A1RAB9A
SCHEMBL16743264 0.64 LCK (0.42) CYP3A4CYP2C9CYP2C19SYKBTK
SCHEMBL18284002 0.64 SMN1; SMN2 (0.42) BTKSMN1; SMN2
SCHEMBL2556101 0.64 CYP3A4 (0.60) CYP3A4CYP2A6CYP2C9CYP2C19IKBKE
SCHEMBL30161149 0.62 FLT3 (0.47) SYKBTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9145414-B2 1,2,4-triazine-6-carboxamide derivative TAIHO PHARMACEUTICAL CO., LTD. (JP) 2015-09-29 — — US disclosed
US-20140343038-A1 1,2,4-TRIAZINE-6-CARBOXAMIDE DERIVATIVE TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-11-20 — — US disclosed
EP-2762476-A1 1,2,4-TRIAZINE-6-CARBOXAMIDE DERIVATIVE Taiho Pharmaceutical Co., Ltd. (JP) 2014-08-06 — — 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-20140343038-A1 1,2,4-TRIAZINE-6-CARBOXAMIDE DERIVATIVE SYK, BTK, JAK2 CYP3A4 2761/4885CYP2A6 2553/4885CYP2C9 4048/4885

“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.

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