SCHEMBL9989315

SCHEMBL9989315

O=c1ccc2c(-c3ccccn3)cccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 9/20 0.48
PDE3A Q14432 9/20 0.48
MAPK14 Q16539 1/20 0.45
CHEK1 O14757 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PRKCI P41743 1/20 0.42
IDO1 P14902 1/20 0.42
BTK Q06187 1/20 0.41
BRD4 O60885 1/20 0.41
PARP1 P09874 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41

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
SCHEMBL31735956 0.76 PRKCI (0.61) MAPK14HPGDMAPK1HTTSMN1; SMN2
SCHEMBL5831166 0.76 PRKCI (0.61) MAPK14HPGDMAPK1HTTSMN1; SMN2
SCHEMBL149958 0.76 BCHE (0.55) HPGDMAPK1IDO1
SCHEMBL29986103 0.76 BCHE (0.55) HPGDMAPK1IDO1
SCHEMBL26259997 0.75 KDM4E (0.62) MAPK14HPGDMAPK1HTTSMN1; SMN2
SCHEMBL17100082 0.74 IDO1 (0.46) PDE3BPDE3AIDO1
SCHEMBL6524545 0.73 CHEK1 (0.49) CHEK1HPGDMAPK1HTTSMN1; SMN2
SCHEMBL11246077 0.72 CHEK1 (0.48) CHEK1HPGDMAPK1HTTSMN1; SMN2
SCHEMBL4065378 0.72 TNKS2 (0.50) PDE3BPDE3AMAPK14CHEK1ADORA3
SCHEMBL3133987 0.72 BCHE (0.51) HPGDMAPK1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9102617-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-08-11 US disclosed
US-20130109713-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY 2013-05-02 US disclosed
WO-2011163610-A2 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-29 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-20130109713-A1 ANTIMICROBIAL AGENTS RPS4X, RPS4Y1, MRPL21 PDE3B 1480/4885PDE3A 1709/4885MAPK14 2451/4885

“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.