SCHEMBL5031343

SCHEMBL5031343

COc1ccc(-c2nc(N)nc(N)n2)cc1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.57
ALDH1A1 P00352 6/20 0.57
NPC1 O15118 5/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
PDGFRB P09619 1/20 0.52
PDGFRA P16234 1/20 0.52
KDM4E B2RXH2 5/20 0.50
CYP17A1 P05093 1/20 0.47
HRH4 Q9H3N8 1/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 1/20 0.46
HSD17B10 Q99714 1/20 0.45
PTGS1 P23219 3/20 0.44
PTGS2 P35354 3/20 0.44
PIK3CA P42336 2/20 0.44
MAPK1 P28482 2/20 0.44
HTT P42858 1/20 0.44
NFKB1 P19838 1/20 0.43

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
SCHEMBL9566448 0.86 KDM4E (0.58) RAB9AALDH1A1NPC1MEN1KMT2A
SCHEMBL6919919 0.84 AGPAT2 (0.55) RAB9AALDH1A1NPC1SMN1; SMN2MEN1
SCHEMBL8489079 0.82 KDM4E (0.58) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL9566413 0.80 HRH4 (0.66) RAB9AALDH1A1NPC1SMN1; SMN2MEN1
SCHEMBL9464193 0.78 CYP17A1 (0.61) RAB9AALDH1A1NPC1SMN1; SMN2MEN1
SCHEMBL2855768 0.77 PDGFRB (0.60) RAB9AALDH1A1NPC1SMN1; SMN2MEN1
SCHEMBL5066542 0.77 NPC1 (0.54) RAB9AALDH1A1NPC1SMN1; SMN2KDM4E
SCHEMBL19876623 0.76 PDGFRB (0.55) RAB9AALDH1A1NPC1SMN1; SMN2MEN1
SCHEMBL4777661 0.75 ALDH1A1 (0.59) RAB9AALDH1A1NPC1SMN1; SMN2MEN1
SCHEMBL182874 0.75 PDGFRB (0.48) RAB9AALDH1A1NPC1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7335770-B2 Triazine compounds and their analogs, compositions, and methods REDDY U5 THERAPEUTICS, INC. (US) 2008-02-26 US disclosed
US-7238692-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-07-03 US disclosed
EP-1788875-A2 NOVEL POLYNUCLEOTIDE SYNTHESIS LABELING CHEMISTRY Dharmacon, Inc. (US) 2007-05-30 EP disclosed
US-20070117795-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2007-05-24 US disclosed
US-20070043051-A1 Methods and compositions of novel triazine compounds TIMMER RICHARD T 2007-02-22 US disclosed
US-7173032-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-02-06 US disclosed
US-7169785-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-01-30 US disclosed
US-20070004729-A1 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. 2007-01-04 US disclosed
WO-2006033730-A2 NOVEL POLYNUCLEOTIDE SYNTHESIS LABELING CHEMISTRY DHARMACON, INC. (US) 2006-03-30 WO disclosed
US-20050124619-A1 Medical devices employing triazine compounds and compositions thereof DR. REDDY'S LABORATORIES LTD. (IN) 2005-06-09 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 (4 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-20070004729-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS RAB9A 4709/4885ALDH1A1 4407/4885NPC1 4350/4885
US-20070043051-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS RAB9A 4709/4885ALDH1A1 4407/4885NPC1 4350/4885
US-20050124619-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 RAB9A 4800/4885ALDH1A1 4548/4885NPC1 4764/4885
US-20070117795-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS RAB9A 4709/4885ALDH1A1 4407/4885NPC1 4350/4885

“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.