SCHEMBL1336725

SCHEMBL1336725

COC(=O)c1nc(O)c(O)c2c1CCN(Cc1ccc(F)c(Cl)c1)C2=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.39
ALDH1A1 P00352 3/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
TNIK Q9UKE5 1/20 0.37
PKM P14618 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
AKR1B1 P15121 1/20 0.36
P2RX7 Q99572 6/20 0.36
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 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
SCHEMBL4473406 0.91 ALDH1A1 (0.42) MEN1KMT2ASMN1; SMN2ALDH1A1TNIK
SCHEMBL6032250 0.89 ALDH1A1 (0.35) MEN1KMT2ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL10233489 0.88 GPR52 (0.40) TNIKAKR1B1PIK3CDPIK3CAPIK3CB
SCHEMBL1335730 0.87 AKR1B1 (0.36) TNIKAKR1B1PIK3CDPIK3CAPIK3CB
SCHEMBL10232272 0.86 MEN1 (0.40) MEN1KMT2ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL2728768 0.85 GPR52 (0.44) TNIKAKR1B1PIK3CDPIK3CAPIK3CB
SCHEMBL6031924 0.85 PIK3CD (0.39) TNIKAKR1B1P2RX7PIK3CDPIK3CA
SCHEMBL4478160 0.82 MEN1 (0.39) MEN1KMT2ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL13672792 0.80 AKR1B1 (0.43) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL1336269 0.78 SMN1; SMN2 (0.36) MEN1KMT2ASMN1; SMN2ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1881825-B1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME (US) 2013-07-24 EP disclosed
US-20130178468-A1 HIV INTEGRASE INHIBITORS VACCA JOSEPH P (US) 2013-07-11 US disclosed
US-8293731-B2 HIV integrase inhibitors Merck Sharp + Dohme Corp. (US) 2012-10-23 US disclosed
US-20110275621-A1 HIV INTEGRASE INHIBITORS SCHERING CORPORATION 2011-11-10 US disclosed
US-7968564-B2 HIV integrase inhibitors MERCK SHARP & DOHME CORP. (US) 2011-06-28 US disclosed
US-20100204201-A1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-08-12 US disclosed
US-7741315-B2 HIV integrase inhibitors MERCK SHARP & DOHME CORP. (US) 2010-06-22 US disclosed
US-7598264-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-10-06 US disclosed
US-20090054399-A1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. 2009-02-26 US disclosed
EP-1881825-A2 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2008-01-30 EP disclosed
US-20070179196-A1 Hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-08-02 US disclosed
EP-1725556-A1 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2006-11-29 EP disclosed
WO-2006121831-A2 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2006-11-16 WO disclosed
WO-2005087768-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-09-22 WO disclosed
WO-2005087767-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-09-22 WO 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 (5 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-20090054399-A1 HIV INTEGRASE INHIBITORS REV1, POLR1A, POLR2H MEN1 3932/4885KMT2A 1009/4885SMN1; SMN2 4045/4885
US-20100204201-A1 HIV INTEGRASE INHIBITORS REV1, CDKN1A, CCNI MEN1 3937/4885KMT2A 1068/4885SMN1; SMN2 4132/4885
US-20130178468-A1 HIV INTEGRASE INHIBITORS REV1, CDKN1A, CCNI MEN1 3937/4885KMT2A 1068/4885SMN1; SMN2 4132/4885
US-20070179196-A1 Hiv integrase inhibitors REV1, TYMP, POLR2H MEN1 4754/4885KMT2A 1470/4885SMN1; SMN2 4492/4885
US-20110275621-A1 HIV INTEGRASE INHIBITORS REV1, CDKN1A, CCNI MEN1 3937/4885KMT2A 1068/4885SMN1; SMN2 4132/4885

“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.