SCHEMBL15344928

SCHEMBL15344928

Cn1ncc2cc(C3CNCCN3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1C Q14123 8/20 0.44
CDK2 P24941 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
KDM1A O60341 7/20 0.39
PDE2A O00408 1/20 0.38
PDE5A O76074 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4D Q08499 1/20 0.38
PDE7A Q13946 1/20 0.38
PDE10A Q9Y233 1/20 0.38
CTNNB1 P35222 1/20 0.36
TCF7 P36402 1/20 0.36
BMPR1B O00238 1/20 0.36
PDGFRB P09619 1/20 0.36
KDR P35968 1/20 0.36
ACVR1B P36896 1/20 0.36

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
SCHEMBL15345134 0.80 PDE1C (0.43) PDE1CKDM1APDE2APDE5ACYP2C9
SCHEMBL15342448 0.78 CDK2 (0.46) PDE1CCDK2MAPKAPK2KDM1A
SCHEMBL17448338 0.77 PDE1C (0.43) PDE1CCDK2MAPKAPK2KDM1APDE2A
SCHEMBL17448337 0.77 PDE1C (0.43) PDE1CCDK2MAPKAPK2KDM1APDE2A
SCHEMBL15344914 0.77 PDE1C (0.43) PDE1CCDK2MAPKAPK2KDM1APDE2A
SCHEMBL25321995 0.77 PDE1C (0.43) PDE1CKDM1APDE2APDE5ACYP2C9
Hydrochloric Acid SCHEMBL31638109 0.77 PDE1C (0.47) PDE1CKDM1APDE2APDE5ACYP2C9
SCHEMBL15334030 0.76 DRD2 (0.46)
SCHEMBL15341799 0.76 PDE1C (0.40) PDE1CKDM1APDE2APDE5ACYP2C9
Hydrochloric Acid SCHEMBL30567988 0.75 PDE1C (0.45) PDE1CKDM1APDE2APDE5ACYP2C9

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-20160015690-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-01-21 US disclosed
US-8987250-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-03-24 US disclosed
US-20130281433-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2013-10-24 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-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 PDE1C 4803/4885CDK2 1459/4885MAPKAPK2 3165/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 PDE1C 4803/4885CDK2 1459/4885MAPKAPK2 3165/4885

“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.