SCHEMBL3801686

SCHEMBL3801686

COc1ccc(Cl)cc1Nc1ncnc2sccc12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.67
MEN1 O00255 6/20 0.67
FADS1 O60427 1/20 0.58
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
TNF P01375 2/20 0.56
NOD1 Q9Y239 2/20 0.56
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
GALR3 O60755 1/20 0.54
NR2F2 P24468 1/20 0.54
HTT P42858 1/20 0.54
EGFR P00533 1/20 0.53
SRC P12931 1/20 0.52
FGFR1 P11362 1/20 0.50
FLT1 P17948 1/20 0.50
EPHB2 P29323 1/20 0.50
FLT4 P35916 1/20 0.50
KDR P35968 1/20 0.50
KDM4E B2RXH2 2/20 0.48

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
SCHEMBL5466877 0.86 MEN1 (0.84) KMT2AMEN1NPC1RAB9ATNF
Hydrochloric Acid SCHEMBL5369266 0.85 MEN1 (0.82) KMT2AMEN1NPC1RAB9ATNF
SCHEMBL3801680 0.83 MEN1 (0.71) KMT2AMEN1NPC1RAB9ATNF
SCHEMBL5314819 0.80 FADS1 (0.58) FADS1LMNAEGFRSRCFGFR1
SCHEMBL3805590 0.79 MEN1 (0.76) KMT2AMEN1NPC1RAB9ATNF
SCHEMBL3801448 0.77 RAB9A (0.57) KMT2AMEN1FADS1NPC1RAB9A
SCHEMBL3794735 0.76 RAB9A (0.67) KMT2AMEN1FADS1NPC1RAB9A
SCHEMBL4787758 0.76 TNNI3K (0.65) SRCFGFR1FLT1EPHB2FLT4
SCHEMBL3799776 0.75 KCNMA1 (0.60) KMT2AMEN1RAB9ALMNASMN1; SMN2
SCHEMBL3805671 0.75 KMT2A (0.69) KMT2AMEN1NPC1RAB9ATNF

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-20100143341-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DEVELOGEN AKTIENGESELLSCHAFT (DE) 2010-06-10 US claimed
EP-1899353-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DeveloGen Aktiengesellschaft (DE) 2008-03-19 EP claimed
WO-2007059905-A9 THIENOPYRIMIDINES TREATING INFLAMMATORY DISEASES DEVELOGEN AG (DE) 2007-11-01 WO claimed
WO-2007059905-A2 THIENOPYRIMIDINES TREATING INFLAMMATORY DISEASES DEVELOGEN AKTIENGESELLSCHAFT (DE) 2007-05-31 WO claimed
WO-2006136402-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DEVELOGEN AKTIENGESELLSCHAFT (DE) 2006-12-28 WO claimed
US-20100143341-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DEVELOGEN AKTIENGESELLSCHAFT (DE) 2010-06-10 US disclosed
EP-1899353-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DeveloGen Aktiengesellschaft (DE) 2008-03-19 EP disclosed
WO-2007059905-A9 THIENOPYRIMIDINES TREATING INFLAMMATORY DISEASES DEVELOGEN AG (DE) 2007-11-01 WO disclosed
WO-2007059905-A2 THIENOPYRIMIDINES TREATING INFLAMMATORY DISEASES DEVELOGEN AKTIENGESELLSCHAFT (DE) 2007-05-31 WO disclosed
WO-2006136402-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DEVELOGEN AKTIENGESELLSCHAFT (DE) 2006-12-28 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-20100143341-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DTYMK, CMPK1, PDXK KMT2A 1016/4885MEN1 1106/4885FADS1 3111/4885

“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.