SCHEMBL985311

SCHEMBL985311

CC1(C)OCc2c(Cl)nc(-c3ccc(Br)cc3)nc21

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.39
DHPS P49366 1/20 0.36
MTOR P42345 3/20 0.36

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
SCHEMBL985699 0.83 MTOR (0.37) EGFRMTOR
SCHEMBL985268 0.72 DHPS (0.36) DHPS
SCHEMBL15921329 0.66 ACHE (0.43) DHPS
SCHEMBL2801074 0.62 NR1H4 (0.50)
SCHEMBL1353468 0.62 AHR (0.44) DHPS
SCHEMBL28368568 0.62 NPC1 (0.58)
SCHEMBL10111230 0.62 AHR (0.44) DHPS
SCHEMBL986284 0.61 RAB9A (0.35)
SCHEMBL7849702 0.61 MEN1 (0.53) DHPS
SCHEMBL11290759 0.60 LMNA (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012099581-A1 DIHYDROFUROPYRIMIDINE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-26 WO disclosed
US-20110021515-A1 DIHYROFUROPYRMINDINE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-27 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 (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-20110021515-A1 DIHYROFUROPYRMINDINE COMPOUNDS MTOR, RICTOR, DEPTOR EGFR 2918/4885DHPS 20/4885MTOR 1/4885

“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.