SCHEMBL14937979

SCHEMBL14937979

Cn1ncc(I)c1CCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 4/20 0.44
TAAR1 Q96RJ0 1/20 0.41
DAO P14920 5/20 0.38
MAOB P27338 2/20 0.37
MIF P14174 1/20 0.36
EPHB4 P54760 1/20 0.35
TEK Q02763 1/20 0.35
FLT1 P17948 1/20 0.35
KDR P35968 1/20 0.35
HMOX1 P09601 1/20 0.34

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
SCHEMBL14938082 0.83 TAAR1 (0.47) TAAR1DAOMAOBMIF
SCHEMBL14938084 0.83 BRD4 (0.39) TAAR1
SCHEMBL14938060 0.82 DAO (0.42) DAOMAOB
SCHEMBL14937887 0.82 PDE2A (0.43) PDE2ADAOMAOB
SCHEMBL14938133 0.81 NOS1 (0.44) HMOX1
SCHEMBL14973101 0.79 PDE2A (0.38) PDE2ATAAR1DAOMAOBMIF
SCHEMBL14973343 0.79 DAO (0.42) PDE2ATAAR1DAOMAOBMIF
SCHEMBL14973035 0.78 ASPH (0.42) PDE2AFLT1KDR
SCHEMBL14938128 0.77 FLT1 (0.43) PDE2AFLT1KDR
SCHEMBL14938300 0.77 MAOB (0.42) MAOBHMOX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642626-B2 Ethinyl-pyrazole derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2014-02-04 US disclosed
EP-2604602-A1 HETEROARYL-PYRAZOLE DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2013-06-19 EP disclosed
EP-2599775-A1 ETHINYL-PYRAZOLE DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2013-06-05 EP disclosed
US-20130137865-A1 HETEROARYL-PYRAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-05-30 US disclosed
US-20130123500-A1 ETHINYL-PYRAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD (JP) 2013-05-16 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-20130137865-A1 HETEROARYL-PYRAZOLE DERIVATIVE GRIN2C, GRIN2B, GRIN3A PDE2A 2129/4885TAAR1 150/4885DAO 1443/4885
US-20130123500-A1 ETHINYL-PYRAZOLE DERIVATIVE GABRE, GRIN3A, GRIK5 PDE2A 2431/4885TAAR1 223/4885DAO 1004/4885

“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.