SCHEMBL14838950

SCHEMBL14838950

NC(=O)c1nnc(N[C@H]2CCCNC2)nc1Nc1ccc2c(cnn2CF)c1

nearest known ligand 0.85

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 17/20 0.85
▸ BTK Q06187 2/20 0.58
▸ KCNH2 Q12809 5/20 0.47
▸ MAPK3 P27361 3/20 0.47
▸ MAPK1 P28482 3/20 0.47
▸ AURKB Q96GD4 3/20 0.47
▸ CDK2 P24941 1/20 0.42
▸ MAPKAPK2 P49137 1/20 0.42

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
SCHEMBL15910711 0.89 SYK (0.83) SYKBTKKCNH2MAPK3MAPK1
SCHEMBL14839090 0.86 SYK (0.88) SYKBTKKCNH2MAPK3MAPK1
SCHEMBL15935588 0.86 SYK (0.88) SYKBTKKCNH2MAPK3MAPK1
SCHEMBL16253425 0.84 SYK (0.75) SYKBTKKCNH2MAPK3MAPK1
SCHEMBL16253423 0.84 SYK (0.75) SYKBTKKCNH2MAPK3MAPK1
SCHEMBL14839212 0.82 SYK (0.71) SYKBTKKCNH2MAPK3MAPK1
SCHEMBL16253424 0.79 SYK (0.68) SYKBTKKCNH2
SCHEMBL16255416 0.78 SYK (0.71) SYKBTKKCNH2MAPK3MAPK1
SCHEMBL14839093 0.78 SYK (0.69) SYKBTKKCNH2MAPK3MAPK1
SCHEMBL16255436 0.78 SYK (0.69) SYKBTKKCNH2MAPK3MAPK1

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-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
WO-2013047813-A1 1,2,4-TRIAZINE-6-CARBOXAMIDE DERIVATIVE 大鵬薬品工業株式会社 (JP) 2013-04-04 — — 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 (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 SYK 1/4885BTK 2/4885KCNH2 146/4885

“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.

Send feedback