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SCHEMBL5314622

SCHEMBL5314622

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

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KCNE1 P15382 1/20 0.67
▸ CCR1 P32246 1/20 0.67
▸ KCNQ1 P51787 1/20 0.67
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ LIPG Q9Y5X9 1/20 0.48
▸ KCNH2 Q12809 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ ERCC1 P07992 1/20 0.46
▸ FEN1 P39748 1/20 0.46
▸ ERCC4 Q92889 1/20 0.46
▸ LMNA P02545 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ HPGD P15428 1/20 0.43
▸ SCD O00767 1/20 0.42

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
SCHEMBL4905094 0.91 KCNE1 (0.65) KCNE1CCR1KCNQ1MEN1KMT2A
SCHEMBL1151004 0.91 KCNE1 (0.65) KCNE1CCR1KCNQ1MEN1KMT2A
Water SCHEMBL20885818 0.90 KCNE1 (0.64) KCNE1CCR1KCNQ1MEN1KMT2A
SCHEMBL13041229 0.90 KCNE1 (0.69) KCNE1CCR1KCNQ1MEN1KMT2A
SCHEMBL5315124 0.89 KCNE1 (0.66) KCNE1CCR1KCNQ1MEN1KMT2A
SCHEMBL1150537 0.89 KCNE1 (0.74) KCNE1CCR1KCNQ1MEN1KMT2A
SCHEMBL19306601 0.88 KCNE1 (0.75) KCNE1CCR1KCNQ1MEN1KMT2A
SCHEMBL3534659 0.87 KCNE1 (0.70) KCNE1CCR1KCNQ1MEN1KMT2A
SCHEMBL18138315 0.86 KCNE1 (0.72) KCNE1CCR1KCNQ1MEN1KMT2A
SCHEMBL1150993 0.86 KCNE1 (0.72) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007064619-A1 PYRIMIDINE DERIVATIVES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-07 — — WO claimed
US-20070129379-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-07 — — US claimed
US-20100280244-A1 PROCESS FOR PREPARING N-SUBSTITUTED HYDROXYPYRIMIDINONE CARBOXAMIDES MERCK SHARP & DOHME LLC 2010-11-04 — — US disclosed
WO-2007064619-A1 PYRIMIDINE DERIVATIVES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-07 — — WO disclosed
US-20070129379-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-07 — — US disclosed
US-20070129379-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-07 — — US disclosed
US-20070129379-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-07 — — 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-20070129379-A1 HIV INTEGRASE INHIBITORS TYMP, POLN, IMPDH1 KCNE1 4106/4885CCR1 959/4885KCNQ1 4001/4885
US-20100280244-A1 PROCESS FOR PREPARING N-SUBSTITUTED HYDROXYPYRIMIDINONE CARBOXAMIDES ALKBH3, DTYMK, DUT KCNE1 3771/4885CCR1 2495/4885KCNQ1 2633/4885

“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.