SCHEMBL10276502

SCHEMBL10276502

CC1=NN2C(=O)C=C(c3ccc(N)cc3)NC2C=C1c1ccc(F)cc1F

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
DYRK1A Q13627 1/20 0.32
APP P05067 1/20 0.32
BACE1 P56817 1/20 0.32
KLKB1 P03952 1/20 0.32
DHODH Q02127 2/20 0.32
HTR2A P28223 1/20 0.32
GRM2 Q14416 1/20 0.32
ALOX5AP P20292 7/20 0.31
FEN1 P39748 7/20 0.31
TDP2 O95551 1/20 0.31

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
SCHEMBL10276618 0.88 KDM4E (0.35) APPALOX5APFEN1
SCHEMBL10275748 0.88 APP (0.35) PDE3BPDE3AAPPDHODHHTR2A
SCHEMBL10275359 0.87 PDE3B (0.36) PDE3BPDE3ADHODHHTR2AGRM2
SCHEMBL10276613 0.84 PDE3B (0.32) PDE3BPDE3ADYRK1AKLKB1DHODH
SCHEMBL10276615 0.84 PDE3B (0.32) PDE3BPDE3ADYRK1AKLKB1DHODH
SCHEMBL10313539 0.84 MEN1 (0.33) PDE3BPDE3ADHODHHTR2AGRM2
SCHEMBL10276050 0.81 MEN1 (0.35) ALOX5APFEN1
SCHEMBL10276329 0.80 PDE3B (0.34) PDE3BPDE3AAPPBACE1ALOX5AP
SCHEMBL10275668 0.76 ALOX5AP (0.35) PDE3BPDE3AAPPHTR2AGRM2
SCHEMBL10275729 0.76 KDM1A (0.37) PDE3BPDE3AHTR2AGRM2ALOX5AP

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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 US claimed
US-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 US disclosed
US-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 US disclosed
WO-2011035518-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF 辽宁利锋科技开发有限公司 (CN) 2011-03-31 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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF TYMP, TYMS, ADORA3 PDE3B 2361/4885PDE3A 2182/4885DYRK1A 2058/4885

“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.