SCHEMBL183884

SCHEMBL183884

Cc1ccc2c(N3CCC(NC(=O)O)C3)nc(Cl)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 4/20 0.47
HRH4 Q9H3N8 4/20 0.43
HRH3 Q9Y5N1 2/20 0.43
KCNH2 Q12809 1/20 0.42
OPRK1 P41145 3/20 0.40
OPRM1 P35372 1/20 0.40
OGFRL1 Q5TC84 1/20 0.40
RAD52 P43351 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ACKR3 P25106 2/20 0.38
AKT1 P31749 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
SCHEMBL4016152 0.93 HRH4 (0.44) PRKDCHRH4OPRK1RAD52KDM4E
SCHEMBL183991 0.87 PDE10A (0.47) PRKDC
SCHEMBL183992 0.87 PDE10A (0.47) PRKDC
SCHEMBL26911669 0.86 OPRM1 (0.49) PRKDCOPRK1OPRM1OGFRL1AKT1
SCHEMBL2734645 0.85 PDE10A (0.42) PRKDCHRH4HRH3KCNH2OPRK1
SCHEMBL183886 0.85 PRKDC (0.42) PRKDCHRH4HRH3KCNH2OPRK1
SCHEMBL2603709 0.85 PRKDC (0.42) PRKDCHRH4HRH3KCNH2OPRK1
SCHEMBL183887 0.85 PRKDC (0.42) PRKDCHRH4HRH3KCNH2OPRK1
SCHEMBL17628240 0.83 SMN1; SMN2 (0.57) ALDH1A1
SCHEMBL17628385 0.83 PRKDC (0.47) PRKDCHRH4HRH3KCNH2OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809353-B2 Quinazolines useful as modulators of voltage gated ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-19 US disclosed
US-8158637-B2 Sodium channel moderators; antiarrhythmia agents; analgesics; antiarthritic agents; antiinflammatory agents; antieplipetic agents; psychological disorders; nervous system disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-17 US disclosed
EP-1957482-B1 QUINAZOLINES USEFUL AS MODULATORS OF VOLTAGE GATED ION CHANNELS VERTEX PHARMA (US) 2012-01-04 EP disclosed
US-20080221137-A1 Quinazolines useful as modulators of voltage gated ion channels VERTEX PHARMACEUTICALS INCORPORATED 2008-09-11 US disclosed
US-20080167305-A1 QUINAZOLINES USEFUL AS MODULATORS OF VOLTAGE GATED ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2008-07-10 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-20080167305-A1 QUINAZOLINES USEFUL AS MODULATORS OF VOLTAGE GATED ION CHANNELS KCNQ1, KCNQ2, KCNQ5 PRKDC 2679/4885HRH4 561/4885HRH3 855/4885
US-20080221137-A1 Quinazolines useful as modulators of voltage gated ion channels KCNQ1, KCNQ2, KCNQ5 PRKDC 2679/4885HRH4 561/4885HRH3 855/4885

“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.