SCHEMBL15910918

SCHEMBL15910918

Cn1cc(-c2cc([N+](=O)[O-])c3cnn(C)c3c2)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 3/20 0.56
▸ CREBBP Q92793 1/20 0.42
▸ MAPT P10636 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ LMNA P02545 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ MITF O75030 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ SYK P43405 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ CCNC P24863 1/20 0.36
▸ CDK8 P49336 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
SCHEMBL27227845 0.78 CREBBP (0.47) CREBBPMAPTALDH1A1POLBLMNA
SCHEMBL30860915 0.78 CREBBP (0.47) CREBBPMAPTALDH1A1POLBLMNA
SCHEMBL15910954 0.78 AURKA (0.50) ERN1SYKCCNCCDK8AURKA
SCHEMBL1780298 0.77 CREBBP (0.46) ERN1CREBBPMAPTALDH1A1POLB
SCHEMBL27227902 0.77 CREBBP (0.46) ERN1CREBBPMAPTALDH1A1POLB
SCHEMBL23070305 0.76 ERN1 (0.57) ERN1MAPTALDH1A1POLBAURKA
SCHEMBL16134054 0.74 MAPT (0.58) ERN1MAPTALDH1A1POLBLMNA
SCHEMBL17680435 0.74 CYP19A1 (0.55) ERN1CREBBPMAPTALDH1A1POLB
SCHEMBL17200462 0.74 ERN1 (0.69) ERN1MAPTALDH1A1POLBAURKA
SCHEMBL16151393 0.73 ERN1 (0.54) ERN1AURKATTKAURKBINCENP

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 ERN1 1529/4885CREBBP 1352/4885MAPT 4663/4885

“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