SCHEMBL343545

SCHEMBL343545

N[C@H]1CC[C@H](Cn2ncc3cnc(Nc4ccc(S(=O)(=O)NCc5cccnc5)cc4)nc32)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 4/20 0.50
NAMPT P43490 2/20 0.46
MAPT P10636 1/20 0.44
AXL P30530 2/20 0.43
TYRO3 Q06418 2/20 0.43
JAK2 O60674 2/20 0.43
JAK1 P23458 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 2/20 0.42
TSHR P16473 1/20 0.42
IDO1 P14902 1/20 0.42
IKBKB O14920 1/20 0.42
ROCK2 O75116 1/20 0.42
JAK3 P52333 1/20 0.42
ROCK1 Q13464 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 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 1.00 MERTK (0.50) MERTKNAMPTMAPTAXLTYRO3
SCHEMBL10167428 0.91 MERTK (0.48) MERTKNAMPTMAPTAXLTYRO3
SCHEMBL341735 0.84 STK3 (0.47) MERTKNAMPTAXLTYRO3
SCHEMBL341734 0.84 STK3 (0.47) MERTKNAMPTAXLTYRO3
SCHEMBL343383 0.82 MERTK (0.57) MERTKAXLTYRO3
SCHEMBL31299866 0.82 MERTK (0.57) MERTKAXLTYRO3
SCHEMBL343382 0.82 MERTK (0.57) MERTKAXLTYRO3
Hydrochloric Acid SCHEMBL31299841 0.82 MERTK (0.56) MERTKAXLTYRO3
SCHEMBL342481 0.80 CDK2 (0.47) MERTK
SCHEMBL342482 0.80 CDK2 (0.47) MERTK

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 4 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 claimed
US-20120015963-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-01-19 US claimed
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 MERTK 1098/4885NAMPT 630/4885MAPT 2949/4885

“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.