SCHEMBL461591

SCHEMBL461591

Cc1nc2c(C)c(-c3cccc(Cl)c3)nn2c(Cl)c1C(O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.37
PIN1 Q13526 1/20 0.37
KMT2A Q03164 1/20 0.37
PKM P14618 1/20 0.36
MDM2 Q00987 2/20 0.35
TP53 P04637 1/20 0.35
THRB P10828 1/20 0.35
TYMP P19971 1/20 0.35
CNR2 P34972 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RECQL P46063 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34

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
SCHEMBL461161 0.88 PDE4A (0.41) KMT2ATP53NPSR1PDE4APDE4C
SCHEMBL10175062 0.88 PDE4A (0.41) KMT2ATP53NPSR1PDE4APDE4C
SCHEMBL463413 0.87 KDM4E (0.39) GRM5PIN1KMT2AMDM2TP53
SCHEMBL461920 0.84 CYP3A4 (0.44) PIN1PKMTP53THRB
SCHEMBL463305 0.80 KDM4E (0.38) GRM5PIN1KMT2AMDM2TP53
SCHEMBL12078786 0.80 DPP4 (0.47) KMT2ATP53NPSR1
SCHEMBL470322 0.78 PDE4A (0.39) KMT2ATP53CNR2NPSR1PDE4A
SCHEMBL461469 0.74 XPO1 (0.46) KMT2ATP53PDE4APDE4CPDE4D
SCHEMBL460739 0.74 KDM4E (0.51) KMT2ATP53NPSR1
SCHEMBL15476655 0.72 NPC1 (0.54) KMT2ATHRBNPSR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633200-B2 Inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-21 US disclosed
EP-2614064-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION Bristol-Myers Squibb Company (US) 2013-07-17 EP disclosed
US-20120225888-A1 Inhibitors of Human Immunodeficiency Virus Replication BRISTOL-MYERS SQUIBB COMPANY 2012-09-06 US disclosed
WO-2012033735-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-15 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-20120225888-A1 Inhibitors of Human Immunodeficiency Virus Replication EIF2AK2, RTF2, MAVS GRM5 4596/4885PIN1 2765/4885KMT2A 3920/4885

“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.