SCHEMBL12638464

SCHEMBL12638464

CN(c1ccccc1Cl)c1nccn2c(NC(=O)O)nnc12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.38
▸ GRM4 Q14833 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ EPHB3 P54753 1/20 0.32
▸ DHODH Q02127 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL12574631 0.86 SMN1; SMN2 (0.36) AURKAGRM4SMN1; SMN2
SCHEMBL12574982 0.85 AURKA (0.32) AURKA
SCHEMBL12637322 0.85 HDAC1 (0.35) MAPTMEN1KMT2APOLBHDAC8
SCHEMBL12638382 0.85 GFER (0.37) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL12637405 0.82 RXRA (0.40) MAPTNPC1RAB9APOLBSMN1; SMN2
SCHEMBL12638921 0.82 L3MBTL1 (0.36) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL12638350 0.80 RAB9A (0.32) MAPTNPC1RAB9ARXFP1HDAC8
SCHEMBL12638869 0.79 MAPK14 (0.42) MAPTNPC1RAB9APOLBKDM4E
SCHEMBL12637809 0.78 MAPT (0.42) MAPTMEN1KMT2A
SCHEMBL2024224 0.78 AURKA (0.34) AURKAGRM4HDAC8SMN1; SMN2

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-8329705-B2 Substituted triazolo-pyrazine compounds ARQULE, INC. (US) 2012-12-11 — — US disclosed
US-8329705-B2 Substituted triazolo-pyrazine compounds ARQULE, INC. (US) 2012-12-11 — — US disclosed
US-20110160215-A1 Substituted Triazolo-Pyrazine Compounds ARQULE, INC. (US) 2011-06-30 — — US 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-20110160215-A1 Substituted Triazolo-Pyrazine Compounds MKI67, TP53, THPO AURKA 701/4885GRM4 3666/4885MAPT 2493/4885

“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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