Sugi Predict

Sugi Predict / Compounds / SCHEMBL2524286

SCHEMBL2524286

SCHEMBL2524286

CC1(C)COCCn2c1nc(C(=O)NCc1ccc(F)cc1-n1cncn1)c(O)c2=O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.35
▸ KCNH2 Q12809 2/20 0.34
▸ CYP3A4 P08684 2/20 0.33
▸ KCNK3 O14649 3/20 0.33
▸ F2 P00734 1/20 0.32
▸ EGLN1 Q9GZT9 2/20 0.32
▸ DDR1 Q08345 1/20 0.31
▸ DDR2 Q16832 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ SLC22A2 O15244 1/20 0.31
▸ TMEM97 Q5BJF2 1/20 0.31
▸ ABCG2 Q9UNQ0 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.30
▸ P2RX7 Q99572 1/20 0.30
▸ ALDH1A1 P00352 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
SCHEMBL13448004 0.92 CYP3A4 (0.33) CYP2C9CYP3A4F2ALDH1A1
SCHEMBL1381752 0.91 CYP2C9 (0.38) CYP2C9KCNH2CYP3A4F2KDM4E
SCHEMBL1379630 0.90 CYP2C9 (0.41) CYP2C9KCNH2CYP3A4F2P2RX7
SCHEMBL2526743 0.90 CYP2C9 (0.35) CYP2C9KCNH2CYP3A4KCNK3F2
SCHEMBL2523947 0.90 CYP2C9 (0.33) CYP2C9KCNH2CYP3A4KCNK3F2
SCHEMBL2525912 0.90 CYP2C9 (0.35) CYP2C9KCNH2CYP3A4KCNK3F2
SCHEMBL5013831 0.89 CYP2C9 (0.36) CYP2C9KCNH2CYP3A4KCNK3F2
SCHEMBL1378995 0.89 CYP2C9 (0.42) CYP2C9KCNH2CYP3A4F2
SCHEMBL4828900 0.88 KCNH2 (0.34) CYP2C9KCNH2CYP3A4KCNK3F2
SCHEMBL3836695 0.88 CYP2C9 (0.33) CYP2C9KCNH2

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 12 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 claimed
EP-1948666-B1 HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2010-03-17 — — EP claimed
US-20070111984-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-05-17 — — US claimed
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
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 CYP2C9 662/4885KCNH2 3129/4885CYP3A4 506/4885

“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.