SCHEMBL10167428

SCHEMBL10167428

N[C@H]1CC[C@H](Cn2ncc3cnc(Nc4cccc(S(=O)(=O)NCc5cccnc5)c4)nc32)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 4/20 0.48
ALDH1A1 P00352 2/20 0.44
PKM P14618 1/20 0.44
IDO1 P14902 1/20 0.42
AXL P30530 2/20 0.41
TYRO3 Q06418 2/20 0.41
CDK1 P06493 2/20 0.41
AURKA O14965 1/20 0.41
DCLK1 O15075 1/20 0.41
PDPK1 O15530 1/20 0.41
JAK2 O60674 1/20 0.41
ROCK2 O75116 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
EGFR P00533 1/20 0.41
NTRK1 P04629 1/20 0.41
PRKCG P05129 1/20 0.41
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
LYN P07948 1/20 0.41

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
SCHEMBL343544 0.91 MERTK (0.50) MERTKALDH1A1IDO1AXLTYRO3
SCHEMBL343545 0.91 MERTK (0.50) MERTKALDH1A1IDO1AXLTYRO3
SCHEMBL10167422 0.81 MERTK (0.41) MERTKAXLTYRO3CDK1AURKA
SCHEMBL344465 0.77 CDK19 (0.47) MERTKCDK1AURKANTRK1IGF1R
SCHEMBL344464 0.77 CDK19 (0.47) MERTKCDK1AURKANTRK1IGF1R
SCHEMBL343382 0.75 MERTK (0.57) MERTKAXLTYRO3CDK1AURKA
SCHEMBL343383 0.75 MERTK (0.57) MERTKAXLTYRO3CDK1AURKA
SCHEMBL31299866 0.75 MERTK (0.57) MERTKAXLTYRO3CDK1AURKA
SCHEMBL341734 0.75 STK3 (0.47) MERTKAXLTYRO3CDK1AURKA
SCHEMBL341735 0.75 STK3 (0.47) MERTKAXLTYRO3CDK1AURKA

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
US-8637529-B2 Pyrazolo[3,4-d]pyrimidine compounds AbbYie Inc. (US) 2014-01-28 US disclosed
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
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 MERTK 1098/4885ALDH1A1 2600/4885PKM 320/4885

“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.