SCHEMBL2525849

SCHEMBL2525849

Cn1cnn(-c2cc(F)ccc2CN)c1=O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
DPP4 P27487 7/20 0.34
L3MBTL1 Q9Y468 2/20 0.32
ROCK2 O75116 3/20 0.32
MPO P05164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK14 Q16539 1/20 0.30
PARK7 Q99497 1/20 0.30
P2RX7 Q99572 1/20 0.30

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
Hydrochloric Acid SCHEMBL2529558 0.99 MAPK1 (0.35) MAPK1NPSR1DPP4L3MBTL1ROCK2
SCHEMBL2529907 0.78 L3MBTL1 (0.34) MAPK1NPSR1DPP4L3MBTL1ALDH1A1
SCHEMBL3124009 0.77 L3MBTL1 (0.41) MAPK1NPSR1DPP4L3MBTL1ROCK2
Hydrochloric Acid SCHEMBL2526577 0.76 L3MBTL1 (0.41) MAPK1NPSR1DPP4L3MBTL1ROCK2
SCHEMBL2528786 0.75 GABRA1 (0.42) DPP4L3MBTL1
SCHEMBL14535432 0.73 MPO (0.38) MPOALDH1A1P2RX7
SCHEMBL51809 0.71 MAPK14 (0.33) MAPK1DPP4MPOMAPK14P2RX7
SCHEMBL14535281 0.71 CDK4 (0.36) MPOMAPK14P2RX7
Hydrochloric Acid SCHEMBL2076893 0.70 MAPK14 (0.33) DPP4MPOMAPK14P2RX7
Hydrochloric Acid SCHEMBL2529209 0.70 MAPK14 (0.33) DPP4MPOMAPK14P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1948666-A1 HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2008-07-30 EP 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 MAPK1 1400/4885NPSR1 4426/4885DPP4 1486/4885

“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.