SCHEMBL394832

SCHEMBL394832

CC#CCOc1ncnc(N2C[C@H](C)C[C@@H](C)C2)c1F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE1B Q01064 1/20 0.41
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
ACACB O00763 13/20 0.36
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAP2K7 O14733 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LRRK2 Q5S007 2/20 0.33

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
SCHEMBL83557 1.00 PDE1B (0.41) PDE1BKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL394833 1.00 PDE1B (0.41) PDE1BKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL83556 1.00 PDE1B (0.41) PDE1BKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL29368774 1.00 PDE1B (0.41) PDE1BKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL83603 0.90 ACACB (0.37) ACACB
SCHEMBL83968 0.89 PDE1B (0.38) PDE1BKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL83709 0.86 PDE1B (0.42) PDE1BKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL83129 0.86 JAK3 (0.44) KDM4EACACBLMNAHSD17B10NPC1
SCHEMBL83419 0.85 PDE1B (0.41) PDE1BKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL395869 0.83 HTT (0.37) KDM4EACACBLMNANPSR1NPC1

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-20120088914-A1 PRODUCTION METHOD OF PYRIMIDINE COMPOUNDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-04-12 US disclosed
US-8101753-B2 Production method of pyrimidine compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-24 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-20120088914-A1 PRODUCTION METHOD OF PYRIMIDINE COMPOUNDS DPYD, DHFR, DHODH PDE1B 3670/4885KDM4E 2626/4885CYP1A2 14/4885
US-20080039445-A1 PRODUCTION METHOD OF PYRIMIDINE COMPOUNDS DPYD, DHFR, DHODH PDE1B 3670/4885KDM4E 2626/4885CYP1A2 14/4885

“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.