SCHEMBL15910562

SCHEMBL15910562

Nc1cccc2c1ccn2C1CCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ DDB1 Q16531 2/20 0.35
▸ CRBN Q96SW2 2/20 0.35
▸ SYK P43405 2/20 0.35
▸ DRD2 P14416 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ SCD O00767 1/20 0.33
▸ LOXL2 Q9Y4K0 1/20 0.33
▸ GRM7 Q14831 1/20 0.32
▸ HTR2B P41595 2/20 0.32
▸ TMEM97 Q5BJF2 2/20 0.32
▸ OPRM1 P35372 1/20 0.32

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
SCHEMBL15910593 0.93 ALDH1A1 (0.38) MEN1KMT2AALDH1A1CYP3A4HPGD
SCHEMBL17422116 0.85 HTR6 (0.43) MEN1KMT2AALDH1A1CYP3A4HPGD
SCHEMBL15910903 0.81 LOXL2 (0.47) MEN1KMT2AALDH1A1CYP3A4HPGD
SCHEMBL15910759 0.80 LOXL2 (0.39) DDB1CRBNSYKLOXL2HTR3A
SCHEMBL15910760 0.80 LOXL2 (0.39) DDB1CRBNSYKLOXL2HTR3A
SCHEMBL30098886 0.79 OPRL1 (0.40) ALDH1A1HPGDKDM4EOPRM1OPRD1
SCHEMBL4377234 0.79 PARP1 (0.43) MEN1KMT2AALDH1A1CYP3A4HPGD
SCHEMBL23648384 0.71 OPRM1 (0.36) MEN1KMT2AKDM4ESYKDRD2
SCHEMBL1895379 0.71 PARP1 (0.49) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL12605572 0.71 DRD2 (0.59) TSHRHSD17B10DRD2SLC6A4SCD

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 MEN1 2285/4885KMT2A 214/4885ALDH1A1 3232/4885

“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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