SCHEMBL985268

SCHEMBL985268

CC1(C)COc2c(Cl)nc(-c3ccc(Br)cc3)nc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHPS P49366 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TAAR1 Q96RJ0 1/20 0.33
RAB9A P51151 5/20 0.32
NPC1 O15118 4/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HSP90AA1 P07900 1/20 0.32
GAA P10253 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
AHR P35869 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL986284 0.83 RAB9A (0.35) SMN1; SMN2L3MBTL1TAAR1RAB9ANPC1
SCHEMBL985661 0.76 SMN1; SMN2 (0.49) SMN1; SMN2RAB9ANPC1ALDH1A1LMNA
SCHEMBL986301 0.76 MTOR (0.41)
SCHEMBL985311 0.72 EGFR (0.39) DHPS
SCHEMBL2801074 0.62 NR1H4 (0.50) SMN1; SMN2L3MBTL1RAB9ANPC1ALDH1A1
SCHEMBL28368568 0.62 NPC1 (0.58) SMN1; SMN2RAB9ANPC1ALDH1A1LMNA
SCHEMBL1353468 0.62 AHR (0.44) DHPSSMN1; SMN2L3MBTL1RAB9ANPC1
SCHEMBL10111230 0.62 AHR (0.44) DHPSSMN1; SMN2L3MBTL1RAB9ANPC1
SCHEMBL985699 0.61 MTOR (0.37) SMN1; SMN2RAB9ANPC1ALDH1A1LMNA
SCHEMBL7849702 0.61 MEN1 (0.53) DHPSSMN1; SMN2L3MBTL1RAB9ANPC1

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 DHPS 20/4885SMN1; SMN2 3777/4885L3MBTL1 4859/4885

“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.