SCHEMBL14476743

SCHEMBL14476743

CCOC(=O)C1=C(NCc2nncn2Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CCC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ TRPM2 O94759 1/20 0.37
▸ CCR1 P32246 1/20 0.37
▸ P2RX7 Q99572 1/20 0.36
▸ TLR2 O60603 1/20 0.35
▸ SLC34A1 Q06495 2/20 0.34
▸ DHODH Q02127 1/20 0.34
▸ KCNQ2 O43526 2/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ KCNQ3 O43525 1/20 0.33
▸ GPR119 Q8TDV5 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
SCHEMBL15804431 0.89 CCR1 (0.39) KDM4EALDH1A1CCR1P2RX7KCNQ2
SCHEMBL14476609 0.86 MEN1 (0.39) MAPTKDM4EMEN1KMT2AHSP90AA1
SCHEMBL15692202 0.81 MAPT (0.40) MAPTKDM4EMEN1KMT2AHSP90AA1
SCHEMBL17629541 0.79 KCNQ2 (0.48) MAPTKDM4EMEN1KMT2AHSP90AA1
SCHEMBL14477124 0.79 PLA2G7 (0.39) MAPTKDM4EMEN1KMT2AHSP90AA1
SCHEMBL15807091 0.74 MAPT (0.38) MAPTKDM4EMEN1KMT2AHSP90AA1
SCHEMBL14476877 0.71 KDM4E (0.49) KDM4EALDH1A1CCR1P2RX7HDAC6
SCHEMBL15654157 0.70 ROCK2 (0.40) MAPTALDH1A1TRPM2
SCHEMBL14476263 0.70 P2RX7 (0.47) KDM4EALDH1A1CCR1P2RX7HDAC6
SCHEMBL14476260 0.69 P2RX7 (0.49) KDM4EALDH1A1CCR1P2RX7HDAC6

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-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-2013000108-A1 AZOLE HETEROCYLIC COMPOUNDS, PREPARATION METHODS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF 中国科学院上海药物研究所 (CN) 2013-01-03 — — WO 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 MAPT 4529/4885KDM4E 2615/4885MEN1 1272/4885

“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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