SCHEMBL12638239

SCHEMBL12638239

Cc1ccnc(N(Cc2ccccc2)c2nccn3c(NC(=O)O)nnc23)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.39
▸ NPC1 O15118 4/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ KMT2A Q03164 6/20 0.37
▸ MEN1 O00255 4/20 0.36
▸ NOS2 P35228 1/20 0.35
▸ ALDH1A1 P00352 5/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPK8 P45983 1/20 0.34
▸ GSK3A P49840 1/20 0.34
▸ MAPK10 P53779 1/20 0.34
▸ HIPK1 Q86Z02 1/20 0.34
▸ RIOK2 Q9BVS4 1/20 0.34
▸ SNRK Q9NRH2 1/20 0.34
▸ ATM Q13315 1/20 0.34

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
SCHEMBL12574619 0.90 GRM5 (0.35) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL12574969 0.89 BRD4 (0.39) RAB9ANPC1NOS2ALDH1A1KDM4E
SCHEMBL12638869 0.82 MAPK14 (0.42) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL2020203 0.82 ZAP70 (0.33) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL12638340 0.80 ZAP70 (0.39) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL12638921 0.75 L3MBTL1 (0.36) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL12638293 0.75 NOTUM (0.35) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL12637322 0.74 HDAC1 (0.35) KMT2AMEN1MAPT
SCHEMBL12637809 0.74 MAPT (0.42) KMT2AMEN1ALDH1A1MAPT
SCHEMBL12638423 0.72 HPGD (0.38) ALDH1A1KDM4EHPGDMAPT

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 RAB9A 3244/4885NPC1 803/4885SMN1; SMN2 3947/4885

“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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