SCHEMBL10167368

SCHEMBL10167368

C[C@H]1CC[C@H](Cn2ncc3cnc(Cl)nc32)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 1/20 0.34
MDM2 Q00987 5/20 0.34
YTHDC1 Q96MU7 1/20 0.33
KAT2B Q92831 1/20 0.33
NPBWR1 P48145 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MERTK Q12866 3/20 0.32
TRPC5 Q9UL62 1/20 0.32
LRRK2 Q5S007 1/20 0.32
AXL P30530 1/20 0.31
TYRO3 Q06418 1/20 0.31
BRD4 O60885 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 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
SCHEMBL28651973 0.93 GRM2 (0.34) YTHDC1KAT2BNPBWR1MERTKLRRK2
SCHEMBL24267921 0.87 YTHDC1 (0.38) LMNAYTHDC1KAT2BNPBWR1AXL
SCHEMBL29389528 0.87 YTHDC1 (0.38) LMNAYTHDC1KAT2BNPBWR1AXL
SCHEMBL27156541 0.86 MERTK (0.40) YTHDC1MERTKLRRK2AXLTYRO3
SCHEMBL27156539 0.86 MERTK (0.40) YTHDC1MERTKLRRK2AXLTYRO3
SCHEMBL31299819 0.86 PKM (0.43) LMNAHTTALDH1A1MDM2YTHDC1
SCHEMBL27156446 0.80 PTGS1 (0.32) LMNANPSR1HSD17B10
SCHEMBL27156444 0.80 PTGS1 (0.32) LMNANPSR1HSD17B10
SCHEMBL342888 0.80 ADORA3 (0.35) LMNAKAT2BNPBWR1MERTKAXL
SCHEMBL342889 0.79 MITF (0.38) LMNAHTTALDH1A1MDM2RAB9A

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
US-8637529-B2 Pyrazolo[3,4-d]pyrimidine compounds AbbYie Inc. (US) 2014-01-28 US disclosed
US-20120015963-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-01-19 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-20120015963-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS CHUK, MAP2K2, CDK3 LMNA 1514/4885HTT 4872/4885ALDH1A1 2600/4885

“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.