SCHEMBL10074501

SCHEMBL10074501

CCOc1ncnc(N2CC(C)CC(C)C2)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 12/20 0.43
PDE1B Q01064 1/20 0.42
CACNA2D1 P54289 1/20 0.40
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAP2K7 O14733 1/20 0.38
HPGD P15428 1/20 0.38
LRRK2 Q5S007 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
SCHEMBL83968 0.84 PDE1B (0.38) ACACBPDE1BLMNANPSR1HSD17B10
SCHEMBL21569325 0.84 PDE1B (0.39) ACACBPDE1BLMNANPSR1HSD17B10
SCHEMBL29419506 0.83 PDE1B (0.39) ACACBPDE1BLMNANPSR1HSD17B10
SCHEMBL83557 0.83 PDE1B (0.41) ACACBPDE1BLMNANPSR1HSD17B10
SCHEMBL83556 0.83 PDE1B (0.41) ACACBPDE1BLMNANPSR1HSD17B10
SCHEMBL394833 0.83 PDE1B (0.41) ACACBPDE1BLMNANPSR1HSD17B10
SCHEMBL29368774 0.83 PDE1B (0.41) ACACBPDE1BLMNANPSR1HSD17B10
SCHEMBL394832 0.83 PDE1B (0.41) ACACBPDE1BLMNANPSR1HSD17B10
SCHEMBL28854494 0.83 PDE1B (0.39) ACACBPDE1BLMNANPSR1HSD17B10
SCHEMBL10074499 0.80 ACACB (0.44) ACACBCACNA2D1LMNANPSR1KDM4E

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-8299245-B2 Method for producing pyrimidine compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-30 US disclosed
US-8101753-B2 Production method of pyrimidine compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-24 US disclosed
US-20090111984-A1 Novel Method For Producing Pyrimidine Compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-04-30 US disclosed
US-20080039445-A1 PRODUCTION METHOD OF PYRIMIDINE COMPOUNDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-02-14 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-20090111984-A1 Novel Method For Producing Pyrimidine Compound DPYD, UMPS, TYMP ACACB 2155/4885PDE1B 1991/4885CACNA2D1 723/4885
US-20080039445-A1 PRODUCTION METHOD OF PYRIMIDINE COMPOUNDS DPYD, DHFR, DHODH ACACB 426/4885PDE1B 3670/4885CACNA2D1 3928/4885

“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.