SCHEMBL3095187

SCHEMBL3095187

CCCCCCc1cc2c(=O)[nH]cnc2s1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMIGD3 P0DMS9 2/20 0.69
ADORA1 P30542 2/20 0.69
CYP1A2 P05177 1/20 0.69
CYP2C9 P11712 1/20 0.69
ALDH1A1 P00352 4/20 0.45
RAB9A P51151 3/20 0.45
LMNA P02545 3/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
BRD4 O60885 1/20 0.40
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
GPR84 Q9NQS5 1/20 0.37
PDPK1 O15530 1/20 0.37
HTT P42858 1/20 0.36
MAPT P10636 1/20 0.36
AGTR1 P30556 1/20 0.36
MEN1 O00255 1/20 0.35

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
SCHEMBL3107713 1.00 TMIGD3 (0.69) TMIGD3ADORA1CYP1A2CYP2C9ALDH1A1
SCHEMBL3105643 1.00 TMIGD3 (0.69) TMIGD3ADORA1CYP1A2CYP2C9ALDH1A1
SCHEMBL3100806 1.00 TMIGD3 (0.69) TMIGD3ADORA1CYP1A2CYP2C9ALDH1A1
SCHEMBL3405853 0.99 TMIGD3 (0.71) TMIGD3ADORA1CYP1A2CYP2C9ALDH1A1
SCHEMBL3100117 0.88 TMIGD3 (0.77) TMIGD3ADORA1CYP1A2CYP2C9ALDH1A1
SCHEMBL16975047 0.83 CYP1A2 (0.57) TMIGD3ADORA1CYP1A2CYP2C9ALDH1A1
SCHEMBL3108511 0.82 TMIGD3 (1.00) TMIGD3ADORA1CYP1A2CYP2C9ALDH1A1
SCHEMBL16975060 0.82 CYP1A2 (0.59) TMIGD3ADORA1CYP1A2CYP2C9ALDH1A1
SCHEMBL3108090 0.81 CYP1A2 (0.55) TMIGD3ADORA1CYP1A2CYP2C9ALDH1A1
SCHEMBL19687613 0.79 TMIGD3 (0.67) TMIGD3ADORA1CYP1A2CYP2C9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181269-B2 Enantiomers of fluconazole analogues containing thieno-[2,-3-D]pyrimidin-4(3H)-one moiety as antifungal agents FDC LIMITED (IN) 2015-11-10 US disclosed
US-20140011818-A1 ENANTIOMERS OF FLUCONAZOLE ANALOGUES CONTAINING THIENO-[2,-3-D]PYRIMIDIN-4(3H)-ONE MOIETY AS ANTIFUNGAL AGENTS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-01-09 US disclosed
US-8324227-B2 Thieno[2,3-D]-pyrimidin-4(3H)-one compounds with antifungal properties and process thereof FDC LIMITED (US) 2012-12-04 US disclosed
EP-2257555-A1 THIENO[2,3-D]-PYRIMIDINE-4(3H)-ONE COMPOUNDS WITH ANTIFUNGAL PROPERTIES AND PROCESS THEREOF National Chemical Laboratory (IN) 2010-12-08 EP disclosed
US-20100273815-A1 THIENO[2,3-D]-PYRIMIDIN-4(3H)-ONE COMPOUNDS WITH ANTIFUNGAL PROPERTIES AND PROCESS THEREOF FDC LIMITED 2010-10-28 US disclosed
WO-2009109983-A1 THIENO[2,3-D]-PYRIMIDINE-4(3H)-ONE COMPOUNDS WITH ANTIFUNGAL PROPERTIES AND PROCESS THEREOF NATIONAL CHEMICAL LABORATORY (IN) 2009-09-11 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 (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-20100273815-A1 THIENO[2,3-D]-PYRIMIDIN-4(3H)-ONE COMPOUNDS WITH ANTIFUNGAL PROPERTIES AND PROCESS THEREOF ERG28, DPM1, CYP51A1 TMIGD3 1939/4885ADORA1 1458/4885CYP1A2 65/4885
US-20140011818-A1 ENANTIOMERS OF FLUCONAZOLE ANALOGUES CONTAINING THIENO-[2,-3-D]PYRIMIDIN-4(3H)-ONE MOIETY AS ANTIFUNGAL AGENTS ERG28, CYP51A1, CYP4B1 TMIGD3 2664/4885ADORA1 301/4885CYP1A2 17/4885

“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.