SCHEMBL14090920

SCHEMBL14090920

COc1ncccc1-c1ccc(O)c(-c2nc3cc(C(=O)NCCn4cccn4)ccc3[nH]2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 7/20 0.46
▸ EGLN1 Q9GZT9 1/20 0.41
▸ PDE2A O00408 1/20 0.41
▸ PDE10A Q9Y233 1/20 0.41
▸ HDAC1 Q13547 2/20 0.41
▸ HDAC6 Q9UBN7 2/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ KLKB1 P03952 1/20 0.39
▸ LOXL2 Q9Y4K0 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ CARM1 Q86X55 1/20 0.37
▸ CDK4 P11802 1/20 0.36
▸ CCNA2 P20248 1/20 0.36
▸ CCND1 P24385 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ CCND3 P30281 1/20 0.36
▸ RIPK1 Q13546 1/20 0.36
▸ FLT3 P36888 1/20 0.36

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
SCHEMBL14090499 0.90 EGLN1 (0.46) NAMPTEGLN1PDE2APDE10AHDAC6
SCHEMBL14090766 0.90 NAMPT (0.41) NAMPTPDE2APDE10AHDAC1HDAC6
SCHEMBL12834471 0.89 NAMPT (0.46) NAMPTPDE2APDE10AHDAC1HDAC6
SCHEMBL14091103 0.89 PDE10A (0.48) NAMPTPDE2APDE10AHDAC1HDAC6
SCHEMBL12833964 0.89 NPC1 (0.40) NAMPTPDE2APDE10AHDAC1HDAC6
SCHEMBL14091101 0.89 KLKB1 (0.40) NAMPTPDE2APDE10AHDAC1HDAC6
SCHEMBL12833759 0.88 NAMPT (0.49) NAMPTPDE2APDE10AHDAC1HDAC6
SCHEMBL12833838 0.88 NAMPT (0.45) NAMPTPDE2APDE10AHDAC1HDAC6
SCHEMBL12833950 0.88 HDAC6 (0.47) NAMPTPDE2APDE10AHDAC1HDAC6
SCHEMBL12833893 0.88 NAMPT (0.48) NAMPTPDE2APDE10AHDAC1HDAC6

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-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 — — US disclosed
US-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 — — US disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 — — US disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 — — 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-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders LCK, MALT1, MYD88 NAMPT 666/4885EGLN1 4009/4885PDE2A 2111/4885

“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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