SCHEMBL16012133

SCHEMBL16012133

COC(=O)c1ccc(Nc2cc(NCc3ccc(Cl)cc3)nc(S(C)(=O)=O)n2)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.44
TBXA2R P21731 1/20 0.44
VNN1 O95497 3/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CNR1 P21554 1/20 0.43
P2RX3 P56373 1/20 0.43
ALDH1A1 P00352 2/20 0.41
AURKA O14965 2/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MAPT P10636 3/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GRM5 P41594 1/20 0.39
TRPV4 Q9HBA0 1/20 0.39
RET P07949 1/20 0.39

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
SCHEMBL14801448 0.91 CA1 (0.49) ALDH1A1AURKAHDAC1POLBCA1
SCHEMBL17797436 0.90 VNN1 (0.44) VNN1NPC1RAB9AP2RX3ALDH1A1
SCHEMBL16012065 0.85 VNN1 (0.44) DRD2TBXA2RVNN1NPC1RAB9A
SCHEMBL16011866 0.83 VNN1 (0.42) DRD2TBXA2RVNN1NPC1RAB9A
SCHEMBL16023882 0.83 DRD2 (0.43) DRD2TBXA2RVNN1NPC1RAB9A
SCHEMBL19221575 0.83 DRD2 (0.43) DRD2TBXA2RVNN1NPC1RAB9A
SCHEMBL22084214 0.82 VNN1 (0.57) DRD2TBXA2RVNN1NPC1RAB9A
SCHEMBL14802065 0.81 PTGS2 (0.45) VNN1CA1CA2
SCHEMBL16211422 0.78 RAB9A (0.54) DRD2TBXA2RVNN1NPC1RAB9A
SCHEMBL16012001 0.77 JAK2 (0.45) VNN1RAB9AP2RX3ALDH1A1MAPT

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 13 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
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
US-9656992-B2 Pyrimidine compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-23 US 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
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
US-20160159769-A1 Pyrimidine Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2016-06-09 US 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
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 DRD2 4201/4885TBXA2R 772/4885VNN1 1579/4885

“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.