SCHEMBL3971495

SCHEMBL3971495

CSc1ncc(N)cc1C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.37
NOS1 P29475 3/20 0.37
NOS2 P35228 3/20 0.37
UHRF1 Q96T88 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 2/20 0.32
PDE10A Q9Y233 1/20 0.31
MAP3K5 Q99683 1/20 0.31
KEAP1 Q14145 1/20 0.31
MAP4K4 O95819 1/20 0.31
RAB9A P51151 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL21711156 0.77 NOS3 (0.48) NOS3NOS1NOS2MEN1KMT2A
SCHEMBL2176589 0.76 MEN1 (0.33) MEN1KMT2ARAB9A
SCHEMBL15053158 0.74 S1PR1 (0.37) UHRF1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL3962436 0.74 CYP3A4 (0.34) ALDH1A1MEN1KMT2AKDM4ERAB9A
SCHEMBL21598733 0.72 GLA (0.38) ALDH1A1KDM4EPOLB
SCHEMBL30254275 0.72 GLA (0.38) ALDH1A1KDM4EPOLB
SCHEMBL670767 0.72
SCHEMBL30154986 0.72
SCHEMBL29765539 0.72
SCHEMBL94027 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2078721-B1 Thieno-pyrimidine compounds having fungicidal activity DOW AGROSCIENCES LLC (US) 2014-01-22 EP disclosed
WO-2013105753-A1 SUBSTITUTED PIPERIDINE DERIVATIVES AND METHODS FOR PREPARING THE SAME HYUNDAI PHARM CO., LTD. (KR) 2013-07-18 WO disclosed
WO-2013105753-A1 SUBSTITUTED PIPERIDINE DERIVATIVES AND METHODS FOR PREPARING THE SAME HYUNDAI PHARM CO., LTD. (KR) 2013-07-18 WO disclosed
EP-2078721-A2 Thieno-pyrimidime compounds having fungicidal activity Dow AgroSciences LLC (US) 2009-07-15 EP disclosed
US-7531482-B2 Thieno-pyrimidine compounds having fungicidal activity DOW AGROSCIENCES LLC (US) 2009-05-12 US disclosed
EP-1937691-A1 THIENO-PYRIMIDINE COMPOUNDS HAVING FUNGICIDAL ACTIVITY Dow Agrosciences LLC (US) 2008-07-02 EP disclosed
US-20070093498-A1 Thieno-pyrimidine compounds having fungicidal activity BREWSTER WILLIAM K 2007-04-26 US disclosed
WO-2007046809-A1 THIENO-PYRIMIDINE COMPOUNDS HAVING FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2007-04-26 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-20070093498-A1 Thieno-pyrimidine compounds having fungicidal activity TYMP, DPM1, TYMS NOS3 1682/4885NOS1 3071/4885NOS2 2840/4885

“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.