SCHEMBL2206699

SCHEMBL2206699

CN(C)C(=O)C(=O)N(C)C1CN(CCc2ccccc2)CCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.69
KCNH2 Q12809 1/20 0.55
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
KCNE1 P15382 1/20 0.39
CCR1 P32246 1/20 0.39
KCNQ1 P51787 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
CALCA P06881 2/20 0.36
ALDH1A1 P00352 3/20 0.36
OPRM1 P35372 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
PRKAA2 P54646 1/20 0.36
SCD O00767 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
POLB P06746 1/20 0.35
PKM P14618 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
SCHEMBL2206489 0.93 CYP2C9 (0.71) CYP2C9KCNH2MEN1KMT2ASMN1; SMN2
SCHEMBL2203857 0.89 CYP2C9 (0.75) CYP2C9KCNH2MEN1KMT2ASMN1; SMN2
SCHEMBL2207787 0.88 CYP2C9 (0.78) CYP2C9KCNH2MEN1KMT2ASMN1; SMN2
SCHEMBL2205826 0.87 CYP2C9 (0.75) CYP2C9KCNH2MEN1KMT2ASMN1; SMN2
SCHEMBL2209465 0.85 CYP2C9 (0.75) CYP2C9KCNH2MEN1KMT2ASMN1; SMN2
SCHEMBL2206574 0.85 CYP2C9 (0.75) CYP2C9KCNH2MEN1KMT2ASMN1; SMN2
SCHEMBL2204999 0.84 CYP2C9 (0.74) CYP2C9KCNH2MEN1KMT2ASMN1; SMN2
SCHEMBL2206751 0.83 CYP2C9 (0.73) CYP2C9KCNH2MEN1KMT2ASMN1; SMN2
SCHEMBL2205093 0.83 CYP2C9 (0.64) CYP2C9KCNH2MEN1KMT2ASMN1; SMN2
SCHEMBL1749374 0.83 CYP2C9 (0.95) CYP2C9KCNH2MEN1KMT2ASMN1; SMN2

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 9 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-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

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 2918/4885MEN1 1709/4885
US-20090253681-A1 HIV Integrase Inhibitors REV1, INTS9, H1-10 CYP2C9 449/4885KCNH2 3625/4885MEN1 684/4885

“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.