SCHEMBL3801448

SCHEMBL3801448

COc1c(Cl)cccc1Nc1ncnc2sccc12

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.57
NPC1 O15118 3/20 0.57
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
FADS1 O60427 1/20 0.54
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
EGFR P00533 2/20 0.49
TNF P01375 3/20 0.47
NOD1 Q9Y239 3/20 0.47
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
PIP4K2A P48426 1/20 0.44
PIP4K2C Q8TBX8 1/20 0.44
TSHR P16473 1/20 0.44
RET P07949 1/20 0.44

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
SCHEMBL3801680 0.80 MEN1 (0.71) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL3801173 0.79 EGFR (0.47) RAB9AMAPTSMN1; SMN2EGFRALDH1A1
SCHEMBL3801686 0.77 KMT2A (0.67) RAB9ANPC1MEN1KMT2AFADS1
SCHEMBL3794735 0.76 RAB9A (0.67) RAB9ANPC1MEN1KMT2AFADS1
SCHEMBL9431935 0.75 KMT2A (0.54) RAB9ANPC1MEN1KMT2AFADS1
SCHEMBL3803639 0.74 MEN1 (0.57) RAB9ANPC1MEN1KMT2AFADS1
SCHEMBL3794281 0.73 MEN1 (0.52) RAB9ANPC1MEN1KMT2AFADS1
SCHEMBL5466877 0.72 MEN1 (0.84) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL3797996 0.72 MAPK1 (0.63) RAB9ANPC1MEN1KMT2AFADS1
SCHEMBL3799139 0.72 MEN1 (0.54) RAB9ANPC1MEN1KMT2AFADS1

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 RAB9A 2822/4885NPC1 3088/4885MEN1 1106/4885

“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.