SCHEMBL3800042

SCHEMBL3800042

CC(=O)N1CCC(Oc2ccccc2Nc2ncnc3sccc23)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.47
KDR P35968 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ERBB2 P04626 4/20 0.44
PIK3CD O00329 2/20 0.43
PIK3CA P42336 2/20 0.43
PIK3CB P42338 2/20 0.43
PIK3CG P48736 2/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
NCOA1 Q15788 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL3799620 0.90 MEN1 (0.44) EGFRKDRMEN1KMT2AERBB2
SCHEMBL3802210 0.90 MEN1 (0.44) EGFRKDRMEN1KMT2AERBB2
SCHEMBL3795832 0.90 MEN1 (0.43) EGFRMEN1KMT2AERBB2PIK3CD
SCHEMBL3803006 0.89 PIK3CD (0.46) EGFRMEN1KMT2AERBB2PIK3CD
SCHEMBL3795253 0.88 MEN1 (0.41) EGFRKDRMEN1KMT2AERBB2
SCHEMBL3799171 0.85 PIK3CD (0.43) EGFRKDRMEN1KMT2AERBB2
SCHEMBL3795373 0.84 EGFR (0.42) EGFRKDRERBB2PIK3CDPIK3CA
SCHEMBL3801046 0.84 EGFR (0.46) EGFRMEN1KMT2ANPC1RAB9A
SCHEMBL3798867 0.83 MEN1 (0.48) EGFRMEN1KMT2AERBB2NPC1
SCHEMBL3798524 0.82 KMT2A (0.45) EGFRMEN1KMT2ANPC1RAB9A

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 4 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
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-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 EGFR 3787/4885KDR 2661/4885MEN1 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.