SCHEMBL15096780

SCHEMBL15096780

O=C(O)c1cc(-n2cc(-c3ccccc3)nn2)cc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ PDE10A Q9Y233 1/20 0.49
▸ LDHA P00338 2/20 0.47
▸ OGT O15294 3/20 0.47
▸ DHODH Q02127 2/20 0.47
▸ P2RY14 Q15391 3/20 0.46
▸ CA2 P00918 3/20 0.46
▸ CA9 Q16790 3/20 0.46
▸ PTGS2 P35354 2/20 0.46
▸ CA12 O43570 2/20 0.46
▸ CA1 P00915 2/20 0.46
▸ CA5A P35218 1/20 0.46
▸ CA5B Q9Y2D0 1/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ CA4 P22748 1/20 0.45
▸ CA7 P43166 1/20 0.45
▸ TP53 P04637 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44

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
SCHEMBL15100471 0.87 PRSS12 (0.47) OGTDHODHP2RY14
SCHEMBL1694849 0.87 OGT (0.48) KDM4EOGTDHODHCA2CA9
SCHEMBL19182235 0.80 OGT (0.52) LDHAOGTP2RY14CA2CA9
SCHEMBL15096775 0.80 KDM4E (0.59) KDM4ELMNASMN1; SMN2PDE10ALDHA
SCHEMBL1694435 0.75 OGT (0.45) KDM4EOGTDHODH
SCHEMBL25202857 0.74 CA9 (0.50) KDM4ELDHAOGTCA2CA9
SCHEMBL29269323 0.74 OGT (0.61) LDHAOGTP2RY14CA2CA9
SCHEMBL1119554 0.72 PTGS2 (0.66) OGTCA2CA9PTGS2CA12
SCHEMBL1694971 0.72 LDHA (0.53) KDM4ELMNASMN1; SMN2PDE10ALDHA
SCHEMBL21044565 0.72 OGT (0.53) KDM4ELMNASMN1; SMN2OGTCA2

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-8969573-B2 Compounds for the inhibition of cellular proliferation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-03-03 — — US disclosed
US-8969573-B2 Compounds for the inhibition of cellular proliferation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-03-03 — — US disclosed
US-20130178505-A1 Compounds for the Inhibition of Cellular Proliferation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-07-11 — — US disclosed
US-20130178505-A1 Compounds for the Inhibition of Cellular Proliferation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-07-11 — — 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-20130178505-A1 Compounds for the Inhibition of Cellular Proliferation MKI67, EIF2AK2, CDK2 KDM4E 2418/4885LMNA 1228/4885SMN1; SMN2 712/4885

“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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