SCHEMBL2206064

SCHEMBL2206064

CN1CCn2c(nc(C(=O)NCc3cccc(Cl)c3)c(O)c2=O)C(N(C)C(=O)C(=O)N(C)C)C1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.58
KCNH2 Q12809 1/20 0.45
THRB P10828 2/20 0.41
MAPT P10636 1/20 0.41
LMNA P02545 3/20 0.40
TP53 P04637 3/20 0.39
CALCA P06881 1/20 0.37
ADORA1 P30542 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ROCK2 O75116 1/20 0.36
MEN1 O00255 1/20 0.36
HCRTR1 O43613 1/20 0.36
KMT2A Q03164 1/20 0.36
P2RX7 Q99572 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL2206768 0.89 CYP2C9 (0.62) CYP2C9KCNH2CALCA
SCHEMBL2208676 0.89 CYP2C9 (0.60) CYP2C9KCNH2MAPTLMNACALCA
SCHEMBL1379214 0.89 CYP2C9 (0.70) CYP2C9KCNH2THRBMAPTLMNA
SCHEMBL2203798 0.87 CYP2C9 (0.63) CYP2C9KCNH2MAPTLMNACALCA
SCHEMBL2207787 0.85 CYP2C9 (0.78) CYP2C9KCNH2MAPTCALCAMEN1
SCHEMBL1380103 0.80 CYP2C9 (0.71) CYP2C9KCNH2THRBMAPTLMNA
SCHEMBL2207952 0.80 CYP2C9 (0.60) CYP2C9KCNH2
SCHEMBL2208925 0.80 CYP2C9 (0.62) CYP2C9KCNH2
SCHEMBL2529045 0.79 CYP2C9 (0.55) CYP2C9KCNH2MAPTLMNACALCA
SCHEMBL1376921 0.79 CYP2C9 (0.80) CYP2C9KCNH2THRBMAPTLMNA

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-20110257162-A1 HIV INTEGRASE INHIBITORS SUMMA VINCENZO 2011-10-20 US claimed
US-20090253681-A1 HIV Integrase Inhibitors MSD ITALIA S.R.L. (IT) 2009-10-08 US claimed
EP-1866313-A1 HIV INTEGRASE INHIBITORS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2007-12-19 EP claimed
WO-2006103399-A1 HIV INTEGRASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2006-10-05 WO claimed
US-20110257162-A1 HIV INTEGRASE INHIBITORS SUMMA VINCENZO 2011-10-20 US disclosed
US-20110257162-A1 HIV INTEGRASE INHIBITORS SUMMA VINCENZO 2011-10-20 US disclosed
US-7981879-B2 HIV integrase inhibitors Instituto di Ricerchi di Biologia Molecolare P. Angeletti S.p.A. (IT) 2011-07-19 US disclosed
US-7981879-B2 HIV integrase inhibitors Instituto di Ricerchi di Biologia Molecolare P. Angeletti S.p.A. (IT) 2011-07-19 US disclosed
US-7981879-B2 HIV integrase inhibitors Instituto di Ricerchi di Biologia Molecolare P. Angeletti S.p.A. (IT) 2011-07-19 US disclosed
US-20090253681-A1 HIV Integrase Inhibitors MSD ITALIA S.R.L. (IT) 2009-10-08 US disclosed
US-20090253681-A1 HIV Integrase Inhibitors MSD ITALIA S.R.L. (IT) 2009-10-08 US disclosed
US-20090253681-A1 HIV Integrase Inhibitors MSD ITALIA S.R.L. (IT) 2009-10-08 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 (2 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-20110257162-A1 HIV INTEGRASE INHIBITORS REV1, CDK9, INTS9 CYP2C9 672/4885KCNH2 2918/4885THRB 3829/4885
US-20090253681-A1 HIV Integrase Inhibitors REV1, INTS9, H1-10 CYP2C9 449/4885KCNH2 3625/4885THRB 2898/4885

“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.