SCHEMBL14476608

SCHEMBL14476608

[N-]=[N+]=NCc1nccn1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 2/20 0.36
▸ KIF11 P52732 2/20 0.36
▸ CHKA P35790 1/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ QPCT Q16769 2/20 0.35
▸ QPCTL Q9NXS2 1/20 0.35
▸ P2RX7 Q99572 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ CCR1 P32246 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ALOX15B O15296 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ EPHB4 P54760 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ TEK Q02763 1/20 0.33

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
SCHEMBL14476738 0.81 P2RX7 (0.44) KIF11CHKABACE1QPCTQPCTL
SCHEMBL14476616 0.80 MAOB (0.45) NR3C1KIF11CHKABACE1QPCT
SCHEMBL14476615 0.80 ALDH1A1 (0.42) NR3C1KIF11CHKABACE1QPCT
SCHEMBL28261189 0.75 KCNH2 (0.44) NR3C1P2RX7KCNH2KDM4EALDH1A1
SCHEMBL15804413 0.72 TEK (0.46) NR3C1KIF11CHKABACE1P2RX7
SCHEMBL14476551 0.71 KIF11 (0.44) KIF11CHKABACE1QPCTQPCTL
SCHEMBL14476839 0.71 MEN1 (0.41) KIF11CHKABACE1QPCTQPCTL
SCHEMBL14270242 0.71 PDE2A (0.44) KIF11MAOBKDM4EALDH1A1KMT2A
SCHEMBL14476630 0.70 PDE2A (0.36) KIF11KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL15497755 0.69 SMN1; SMN2 (0.43) NR3C1BACE1QPCTQPCTLP2RX7

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-20140171431-A1 AZOLE HETEROCYCLIC COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE SHANGHAI INSTITUTE OF MATERIA MEDICA CHINESE ACADEMY OF SCIENCES (CN) 2014-06-19 — — US disclosed
US-20140171431-A1 AZOLE HETEROCYCLIC COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE SHANGHAI INSTITUTE OF MATERIA MEDICA CHINESE ACADEMY OF SCIENCES (CN) 2014-06-19 — — US disclosed
US-20140171431-A1 AZOLE HETEROCYCLIC COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE SHANGHAI INSTITUTE OF MATERIA MEDICA CHINESE ACADEMY OF SCIENCES (CN) 2014-06-19 — — US disclosed
EP-2725024-A1 AZOLE HETEROCYCLIC COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2014-04-30 — — EP disclosed
WO-2013000267-A1 AZOLE HETEROCYCLIC COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE 中国科学院上海药物研究所 (CN) 2013-01-03 — — 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-20140171431-A1 AZOLE HETEROCYCLIC COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE PLA2G5, LTA4H, PLA2G4A NR3C1 2310/4885KIF11 4378/4885CHKA 1520/4885

“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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