SCHEMBL1151004

SCHEMBL1151004

Cn1c(C(C)(C)N)nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 1/20 0.65
CCR1 P32246 1/20 0.65
KCNQ1 P51787 1/20 0.65
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
ERCC1 P07992 1/20 0.47
FEN1 P39748 1/20 0.47
ERCC4 Q92889 1/20 0.47
LIPG Q9Y5X9 1/20 0.47
KCNH2 Q12809 1/20 0.46
CYP2C9 P11712 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
SCD O00767 1/20 0.43
POLB P06746 2/20 0.43
MAOB P27338 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.41

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
Water SCHEMBL20885818 0.99 KCNE1 (0.64) KCNE1CCR1KCNQ1MEN1KMT2A
SCHEMBL5314622 0.91 KCNE1 (0.67) KCNE1CCR1KCNQ1MEN1KMT2A
SCHEMBL4905094 0.89 KCNE1 (0.65) KCNE1CCR1KCNQ1MEN1KMT2A
SCHEMBL13302575 0.89 KCNE1 (0.55) KCNE1CCR1KCNQ1MEN1KMT2A
SCHEMBL13041229 0.88 KCNE1 (0.69) KCNE1CCR1KCNQ1MEN1KMT2A
SCHEMBL1150537 0.87 KCNE1 (0.74) KCNE1CCR1KCNQ1MEN1KMT2A
SCHEMBL5315124 0.87 KCNE1 (0.66) KCNE1CCR1KCNQ1MEN1KMT2A
SCHEMBL18196228 0.86 KCNE1 (0.53) KCNE1CCR1KCNQ1MEN1KMT2A
SCHEMBL19306601 0.86 KCNE1 (0.75) KCNE1CCR1KCNQ1MEN1KMT2A
SCHEMBL22571819 0.85 KCNE1 (0.50) KCNE1CCR1KCNQ1MEN1KMT2A

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 87 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10259778-B2 Process for the preparation of raltegravir AUROBINDO PHARMA LTD (IN) 2019-04-16 US claimed
EP-3102565-B1 PROCESSES FOR THE PREPARATION OF INTERMEDIATES OF RALTEGRAVIR MYLAN LABORATORIES LTD (IN) 2019-01-02 EP claimed
US-20170334838-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF RALTEGRAVIR AUROBINDO PHARMA LTD (IN) 2017-11-23 US claimed
US-20170253585-A1 PROCESSES FOR THE PREPARATION OF INTERMEDIATES OF RALTEGRAVIR MYLAN LABORATORIES LTD (IN) 2017-09-07 US claimed
EP-3102565-A1 PROCESSES FOR THE PREPARATION OF INTERMEDIATES OF RALTEGRAVIR Mylan Laboratories Ltd. (IN) 2016-12-14 EP claimed
WO-2015114608-A1 PROCESSES FOR THE PREPARATION OF INTERMEDIATES OF RALTEGRAVIR MYLAN LABORATORIES LTD (IN) 2015-08-06 WO claimed
US-11246869-B2 Process for the preparation of Raltegravir CAMBREX PROFARMACO MILANO S.R.L. (IT) 2022-02-15 US disclosed
US-11246869-B2 Process for the preparation of Raltegravir CAMBREX PROFARMACO MILANO S.R.L. (IT) 2022-02-15 US disclosed
EP-3472134-B1 PROCESS FOR PREPARING COMPOUNDS USEFUL AS INTERMEDIATES FOR THE PREPARATION OF RALTEGRAVIR PHARMATHEN SA (GR) 2021-10-20 EP disclosed
US-20200330466-A1 PROCESS FOR THE PREPARATION OF RALTEGRAVIR CAMBREX PROFARMACO MILANO S.R.L. (IT) 2020-10-22 US disclosed
EP-2586444-B1 Pharmaceutical formulation of carboxamide HIV integrase inhibitors containing a release rate control composition MERCK SHARP & DOHME (US) 2019-09-25 EP disclosed
US-10259778-B2 Process for the preparation of raltegravir AUROBINDO PHARMA LTD (IN) 2019-04-16 US disclosed
US-10259778-B2 Process for the preparation of raltegravir AUROBINDO PHARMA LTD (IN) 2019-04-16 US disclosed
US-7169780-B2 N-substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase ISTITUTE DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2007-01-30 US disclosed
US-7169780-B2 N-substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase ISTITUTE DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2007-01-30 US disclosed
US-7169780-B2 N-substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase ISTITUTE DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2007-01-30 US disclosed
US-20060258860-A1 N-substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase MSD ITALIA S.R.L. (IT) 2006-11-16 US disclosed
WO-2006060731-A2 USE OF ATAZANAVIR FOR IMPROVING THE PHARMACOKINETICS OF DRUGS METABOLIZED BY UGT1A1 MERCK & CO., INC. (US) 2006-06-08 WO disclosed
EP-1441735-B1 N-SUBSTITUTED HYDROXYPYRIMIDINONE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE ANGELETTI P IST RICHERCHE BIO (IT) 2006-02-22 EP disclosed
US-20050025774-A1 N-substituted hydroxypyrimidinone carboxamide inhibitors of hiv integrase MSD ITALIA S.R.L. (IT) 2005-02-03 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 (7 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-20170334838-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF RALTEGRAVIR SAMHD1, CYP3A5, REN KCNE1 2620/4885CCR1 1121/4885KCNQ1 2409/4885
US-10259778-B2 Process for the preparation of raltegravir SAMHD1, CYP3A5, HPRT1 KCNE1 2894/4885CCR1 1027/4885KCNQ1 2689/4885
US-20060258860-A1 N-substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase IMPDH1, ASS1, REV1 KCNE1 4152/4885CCR1 2063/4885KCNQ1 3707/4885
US-20170253585-A1 PROCESSES FOR THE PREPARATION OF INTERMEDIATES OF RALTEGRAVIR DUT, DCK, DCTD KCNE1 3460/4885CCR1 3861/4885KCNQ1 3640/4885
US-20200330466-A1 PROCESS FOR THE PREPARATION OF RALTEGRAVIR SAMHD1, CYP3A4, UGT1A4 KCNE1 3694/4885CCR1 3418/4885KCNQ1 3866/4885
US-11246869-B2 Process for the preparation of Raltegravir SAMHD1, CYP3A4, UGT1A4 KCNE1 3694/4885CCR1 3418/4885KCNQ1 3866/4885
US-20050025774-A1 N-substituted hydroxypyrimidinone carboxamide inhibitors of hiv integrase IMPDH1, CCNI, REV1 KCNE1 3802/4885CCR1 994/4885KCNQ1 3546/4885

“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.