SCHEMBL16012001

SCHEMBL16012001

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
TYK2 P29597 1/20 0.45
JAK3 P52333 1/20 0.45
MAPT P10636 4/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SLC2A1 P11166 1/20 0.42
SLC26A6 Q9BXS9 1/20 0.41
VNN1 O95497 2/20 0.41
TSHR P16473 2/20 0.41
P2RX3 P56373 2/20 0.41
TRPV4 Q9HBA0 1/20 0.41
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TP53 P04637 1/20 0.40

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 0.92 VNN1 (0.44) MAPTKMT2AMEN1RAB9AALDH1A1
SCHEMBL17797438 0.88 VNN1 (0.45) MAPTRAB9AALDH1A1VNN1TRPV4
SCHEMBL14802053 0.84 JAK2 (0.51) JAK2JAK1TYK2JAK3MAPT
SCHEMBL14801946 0.83 CA1 (0.47) KMT2AMEN1ALDH1A1NPSR1VNN1
SCHEMBL18880601 0.82 POLB (0.47) MAPTKMT2AMEN1RAB9AALDH1A1
SCHEMBL18830440 0.79 ALDH1A1 (0.41) MAPTKMT2AMEN1RAB9AALDH1A1
SCHEMBL14801537 0.79 HCAR3 (0.43) KMT2AMEN1VNN1TP53
SCHEMBL16012133 0.77 DRD2 (0.44) MAPTRAB9AALDH1A1NPSR1VNN1
SCHEMBL11565569 0.77 SMN1; SMN2 (0.56) MAPTKMT2AMEN1RAB9AALDH1A1
SCHEMBL16011866 0.76 VNN1 (0.42) MAPTRAB9AALDH1A1VNN1P2RX3

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 6 patents. 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-20160159769-A1 Pyrimidine Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2016-06-09 US disclosed
EP-2964630-A1 PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2016-01-13 EP disclosed
WO-2014138199-A1 PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-12 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 (1 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 JAK2 543/4885JAK1 450/4885TYK2 1695/4885

“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.