SCHEMBL730756

SCHEMBL730756

O=C(O)c1cc(-c2ccccc2)nc(-c2nnn[nH]2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRC Q99895 4/20 0.55
MCL1 Q07820 1/20 0.46
TP53 P04637 1/20 0.45
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 1/20 0.40
PDE10A Q9Y233 1/20 0.40
LDHA P00338 1/20 0.40
ADORA1 P30542 3/20 0.39
CHEK1 O14757 2/20 0.38
DHODH Q02127 1/20 0.38
RET P07949 1/20 0.38
PDGFRB P09619 1/20 0.38
PIM1 P11309 1/20 0.38
PDGFRA P16234 1/20 0.38
GSK3B P49841 1/20 0.38
RPS6KA3 P51812 1/20 0.38
LIMK1 P53667 1/20 0.38
CDK5 Q00535 1/20 0.38
TYRO3 Q06418 1/20 0.38

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
SCHEMBL733469 0.85 GAA (0.48) CTRCKDM4ESMN1; SMN2ADORA1ALDH1A1
SCHEMBL4259978 0.81 CTRC (0.77) CTRCMCL1TP53KDM4ESMN1; SMN2
SCHEMBL733156 0.79 DHODH (0.49) CTRCTP53KDM4ESMN1; SMN2DHODH
SCHEMBL743969 0.77 CTRC (0.57) CTRCMCL1TP53KDM4ESMN1; SMN2
SCHEMBL939586 0.76 CD74 (0.53) KDM4ESMN1; SMN2LMNANPC1RAB9A
SCHEMBL30425732 0.76 CD74 (0.53) KDM4ESMN1; SMN2LMNANPC1RAB9A
SCHEMBL2513559 0.75 ALOX15 (0.36) TP53KDM4ESMN1; SMN2LMNADHODH
SCHEMBL733019 0.74 MEN1 (0.39) KDM4ESMN1; SMN2LMNAADORA1NPC1
SCHEMBL18320677 0.73 KDM4E (0.60) TP53KDM4ESMN1; SMN2LMNAPDE10A
SCHEMBL2516837 0.73 DHODH (0.46) KDM4EDHODHALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2120569-B1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME (US) 2013-08-14 EP disclosed
US-8138197-B2 Spirochromanon derivatives MSD K.K. (JP) 2012-03-20 US disclosed
EP-2120569-A2 SPIROCHROMANON DERIVATIVES Merck & Co., Inc. (US) 2009-11-25 EP disclosed
US-20090270436-A1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME LLC 2009-10-29 US disclosed
WO-2008088692-A2 SPIROCHROMANON DERIVATIVES MERCK & CO., INC. (US) 2008-07-24 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-20090270436-A1 SPIROCHROMANON DERIVATIVES AKR1C3, CBR3, AKR1C4 CTRC 1990/4885MCL1 1855/4885TP53 2365/4885

“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.