SCHEMBL2526428

SCHEMBL2526428

Cc1nn(-c2cc(F)ccc2C#N)c(=O)[nH]1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2B Q13224 2/20 0.38
KDM4E B2RXH2 1/20 0.37
AR P10275 4/20 0.36
PARP1 P09874 1/20 0.35
TNK1 Q13470 1/20 0.35
BCAT2 O15382 4/20 0.35
BCAT1 P54687 4/20 0.35
SCN9A Q15858 1/20 0.35
HCAR1 Q9BXC0 1/20 0.34
PGR P06401 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
SCHEMBL20267715 0.81 L3MBTL1 (0.41) CDK4CCND1HCAR1
SCHEMBL30537048 0.81 L3MBTL1 (0.41) CDK4CCND1HCAR1
SCHEMBL6506928 0.80 TRPV4 (0.36) KDM4EARBCAT2BCAT1PGR
SCHEMBL2526431 0.79 CDK4 (0.38) CDK4CCND1KDM4EHCAR1
SCHEMBL9139297 0.77 BCAT2 (0.40) GRIN1GRIN2BKDM4EBCAT2BCAT1
SCHEMBL2530113 0.76 L3MBTL1 (0.41) FFAR4KDM4EARSCN9A
SCHEMBL14535281 0.76 CDK4 (0.36) CDK4CCND1GRIN1GRIN2BHCAR1
SCHEMBL4038241 0.73 KDM4E (0.39) KDM4EARSCN9A
SCHEMBL2076032 0.71 EGLN2 (0.40) KDM4EARSCN9A
SCHEMBL23565228 0.71 ABHD16A (0.44) HCAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101360752-B Hiv integrase inhibitors BRISTOL MYERS SQUIBB CO 2012-09-05 CN disclosed
US-8039458-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 US disclosed
US-8039458-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 US disclosed
US-8039458-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 US disclosed
EP-1948666-B1 HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2010-03-17 EP disclosed
EP-1948666-B1 HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2010-03-17 EP disclosed
CN-101360752-A HIV integrase inhibitors BRISTOL MYERS SQUIBB CO (US) 2009-02-04 CN disclosed
WO-2007061714-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO disclosed
US-20070111984-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-05-17 US disclosed
US-20070111984-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-05-17 US disclosed
US-20070111984-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-05-17 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-20070111984-A1 HIV integrase inhibitors TYMP, POLN, IMPDH1 CDK4 150/4885CCND1 595/4885FFAR4 4730/4885

“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.