SCHEMBL17229358

SCHEMBL17229358

COc1cc(C)nc(C)c1C#N

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.57
MAPK1 P28482 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TSHR P16473 2/20 0.46
POLB P06746 1/20 0.44
RECQL P46063 1/20 0.43
ALDH1A1 P00352 7/20 0.42
HPGD P15428 6/20 0.42
GAA P10253 2/20 0.42
NPC1 O15118 1/20 0.42
HSD17B10 Q99714 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL15173851 0.83 RECQL (0.54) KDM4EMAPK1SMN1; SMN2TSHRPOLB
SCHEMBL26542653 0.83 KDM4E (0.56) KDM4EMAPK1SMN1; SMN2TSHRPOLB
SCHEMBL20168111 0.81 KDM4E (0.54) KDM4EMAPK1SMN1; SMN2TSHRPOLB
SCHEMBL554373 0.81 KDM4E (0.54) KDM4EMAPK1SMN1; SMN2TSHRRECQL
SCHEMBL15821360 0.81 KDM4E (0.46) KDM4EMAPK1SMN1; SMN2TSHRPOLB
SCHEMBL14967121 0.81 KDM4E (0.46) KDM4EMAPK1SMN1; SMN2TSHRPOLB
SCHEMBL4066614 0.75 KDM4E (0.64) KDM4EMAPK1SMN1; SMN2TSHRPOLB
SCHEMBL15819799 0.74 ALDH1A1 (0.68) KDM4EMAPK1SMN1; SMN2TSHRPOLB
SCHEMBL17382898 0.73 KDM4E (0.46) KDM4EMAPK1SMN1; SMN2TSHRPOLB
SCHEMBL9084973 0.73 ACHE (0.52) KDM4EMAPK1SMN1; SMN2TSHRRECQL

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-RE49700-E1 Substituted nitrogen containing compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-10-17 US disclosed
US-9695166-B2 Pyrazolopyridine pyrazolopyrimidine and related compounds GLOBAL BLOOD THERAPEUTICS, INC. (US) 2017-07-04 US disclosed
US-20150315198-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2015-11-05 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-20150315198-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS TPMT, DPYD, XDH KDM4E 4071/4885MAPK1 1161/4885SMN1; SMN2 1408/4885

“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.