SCHEMBL342887

SCHEMBL342887

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MITF O75030 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38
RAB9A P51151 1/20 0.38
MDM2 Q00987 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADORA3 P0DMS8 5/20 0.36
ADORA1 P30542 4/20 0.36
CNR1 P21554 1/20 0.36
NR3C1 P04150 2/20 0.35
ADORA2A P29274 2/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34

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
SCHEMBL342889 1.00 MITF (0.38) MITFALDH1A1LMNAMAPTHTT
SCHEMBL28651973 0.85 GRM2 (0.34) ADORA3ADORA1NR3C1ADORA2ACRHR1
SCHEMBL10167351 0.84 ACACB (0.48)
SCHEMBL27156539 0.81 MERTK (0.40) ADORA3ADORA1ADORA2ACRHR1
SCHEMBL27156541 0.81 MERTK (0.40) ADORA3ADORA1ADORA2ACRHR1
SCHEMBL27156433 0.80 CRHR1 (0.34) MITFRAB9ACRHR1
SCHEMBL24267921 0.80 YTHDC1 (0.38) LMNAADORA1CNR1ADORA2A
SCHEMBL29389528 0.80 YTHDC1 (0.38) LMNAADORA1CNR1ADORA2A
SCHEMBL342888 0.80 ADORA3 (0.35) LMNAADORA3ADORA1NR3C1CRHR1
SCHEMBL343113 0.79 NR3C1 (0.35) NR3C1CRHR1

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 3 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
WO-2011156698-A2 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2011-12-15 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-20120015963-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS CHUK, MAP2K2, CDK3 MITF 1481/4885ALDH1A1 2600/4885LMNA 1514/4885

“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.