SCHEMBL14801946

SCHEMBL14801946

COC(=O)c1ccc(Nc2cc(NCc3ccc(O)cc3)nc(SC)n2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
HDAC1 Q13547 2/20 0.40
GABRA5 P31644 3/20 0.39
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AURKA O14965 2/20 0.38
DEGS1 O15121 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CA12 O43570 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
VNN1 O95497 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PPARG P37231 1/20 0.37

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
SCHEMBL16012065 0.91 VNN1 (0.44) HDAC1GABRA5MEN1GAAKMT2A
SCHEMBL14801537 0.90 HCAR3 (0.43) HDAC1MEN1GAAKMT2ASMN1; SMN2
SCHEMBL14801448 0.85 CA1 (0.49) CA1CA2HDAC1GABRA5AURKA
SCHEMBL14801886 0.83 CA1 (0.45) CA1CA2HDAC1GABRA5AURKA
SCHEMBL16012001 0.83 JAK2 (0.45) MEN1KMT2ALMNATSHRNPSR1
SCHEMBL17797438 0.81 VNN1 (0.45) HDAC1GAALMNAVNN1ALDH1A1
SCHEMBL14801417 0.79 MEN1 (0.50) MEN1GAAKMT2ASMN1; SMN2LMNA
SCHEMBL16012133 0.77 DRD2 (0.44) CA1CA2HDAC1GAASMN1; SMN2
SCHEMBL210682 0.76 ALDH1A1 (0.54) CA1CA2HDAC1MEN1GAA
SCHEMBL16011866 0.75 VNN1 (0.42) HDAC1LMNAVNN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2964630-B9 PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2017-08-09 EP disclosed
US-9656992-B2 Pyrimidine compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-23 US disclosed
EP-2964630-B1 PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2017-05-10 EP disclosed
US-9422311-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-23 US disclosed
US-9422311-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-23 US disclosed
US-9422311-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-23 US disclosed
US-20160159769-A1 Pyrimidine Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2016-06-09 US disclosed
EP-2760872-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2016-04-13 EP disclosed
EP-2760872-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2016-04-13 EP disclosed
EP-2964630-A1 PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2016-01-13 EP disclosed
EP-2760872-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2014-08-06 EP disclosed
WO-2014062636-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2014-04-24 WO disclosed
US-8629150-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-14 US disclosed
US-8629150-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-14 US disclosed
US-8629150-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-14 US disclosed
WO-2013048995-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 WO disclosed
WO-2013048995-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 WO disclosed
US-20130078214-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-28 US disclosed
US-20130078214-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-28 US disclosed
US-20130078214-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-28 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-20160159769-A1 Pyrimidine Compounds for the Treatment of Hepatitis C TYMP, UMPS, NUDT1 CA1 4857/4885CA2 4757/4885HDAC1 4436/4885
US-20130078214-A1 Compounds for the Treatment of Hepatitis C HAVCR2, SLC10A1, HCCS CA1 4446/4885CA2 4355/4885HDAC1 2406/4885

“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.