SCHEMBL10191564

SCHEMBL10191564

CC(=O)C(=CN(C)C)C(=O)c1ccccc1C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
GPR52 Q9Y2T5 1/20 0.38
HPGD P15428 1/20 0.38
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP11B1 P15538 1/20 0.37
ERCC5 P28715 1/20 0.37
FEN1 P39748 1/20 0.37
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL3171304 0.87 KMT2A (0.44) KMT2AALDH1A1SMN1; SMN2GPR52HPGD
SCHEMBL3171296 0.87 KMT2A (0.44) KMT2AALDH1A1SMN1; SMN2GPR52HPGD
SCHEMBL13527918 0.83 ALDH1A1 (0.39) KMT2AALDH1A1HPGDMAPTGAA
SCHEMBL22416287 0.82 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2GPR52HPGDMAPT
SCHEMBL2513084 0.82 CYP11B1 (0.55) ALDH1A1HPGDMAPTCYP11B1TSHR
SCHEMBL2513083 0.82 CYP11B1 (0.55) ALDH1A1HPGDMAPTCYP11B1TSHR
SCHEMBL3570355 0.81 KMT2A (0.50) KMT2AALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL3570354 0.81 KMT2A (0.50) KMT2AALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL5318227 0.77 ALDH1A1 (0.58) KMT2AALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL7383383 0.77 ALDH1A1 (0.58) KMT2AALDH1A1SMN1; SMN2HPGDMAPT

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-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2016-08-25 US disclosed
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2014-04-17 US disclosed
US-8637526-B2 Pyrazolopyrimidine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2014-01-28 US disclosed
US-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-01-26 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 (3 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-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 KMT2A 1030/4885ALDH1A1 1236/4885SMN1; SMN2 2551/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 KMT2A 1030/4885ALDH1A1 1236/4885SMN1; SMN2 2551/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 KMT2A 1030/4885ALDH1A1 1236/4885SMN1; SMN2 2551/4885

“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.