SCHEMBL63518

SCHEMBL63518

Cc1ccc(CNC(=O)c2nc3n(c(=O)c2O)CC2CCC3(NC(=O)C(=O)N(C)C)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.46
KCNH2 Q12809 1/20 0.41
RAB9A P51151 1/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 1/20 0.35
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 2/20 0.34
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 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
SCHEMBL64597 0.94 CYP2C9 (0.47) CYP2C9KCNH2
SCHEMBL52664 0.93 CYP2C9 (0.55) CYP2C9KCNH2LMNAKMT2AGAA
SCHEMBL63545 0.93 CYP2C9 (0.46) CYP2C9KCNH2
SCHEMBL63919 0.93 CYP2C9 (0.46) CYP2C9KCNH2LMNATP53KMT2A
SCHEMBL63538 0.93 CYP2C9 (0.46) CYP2C9KCNH2LMNAKDM4EGAA
SCHEMBL53142 0.93 CYP2C9 (0.45) CYP2C9KCNH2RAB9AKMT2AKDM4E
SCHEMBL64543 0.92 CYP2C9 (0.45) CYP2C9KCNH2LMNAKDM4EPOLB
SCHEMBL63535 0.91 CYP2C9 (0.45) CYP2C9KCNH2RAB9ALMNATP53
SCHEMBL63925 0.90 CYP2C9 (0.44) CYP2C9KCNH2RAB9AKMT2AMEN1
SCHEMBL52059 0.89 CYP2C9 (0.45) CYP2C9KCNH2LMNAKDM4EMAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2280981-B1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-04-23 EP disclosed
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US disclosed
WO-2009117540-A1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-24 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-20090253677-A1 HIV Integrase Inhibitors DNTT, POLB, UNG CYP2C9 602/4885KCNH2 3969/4885RAB9A 3210/4885

“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.