SCHEMBL16701022

SCHEMBL16701022

Cc1cnc(C)c(-c2cnn(C)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.42
KDM5B Q9UGL1 3/20 0.42
ADORA2A P29274 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.39
AXL P30530 7/20 0.38
LRRK2 Q5S007 1/20 0.38
FGFR3 P22607 1/20 0.38
KDR P35968 1/20 0.38
TYRO3 Q06418 1/20 0.38
MERTK Q12866 1/20 0.38
PLAU P00749 1/20 0.38
EPHX2 P34913 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
TTK P33981 1/20 0.37

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
SCHEMBL26698086 0.74 CNR2 (0.49) ADORA2AMAPTAXLLRRK2PLAU
SCHEMBL3955630 0.74 KDM4E (0.44) ADORA2AMAPTMAPK1AXLPLAU
SCHEMBL16341708 0.73 ALDH1A1 (0.42) LRRK2CDK2
SCHEMBL16561261 0.73 JAK2 (0.44) PIM1KDM5BADORA2AMAPK1AXL
SCHEMBL14983673 0.73 SIGMAR1 (0.44) PIM1KDM5BAXLLRRK2
SCHEMBL16561353 0.73 PIM1 (0.38) PIM1KDM5BADORA2AMAPK1AXL
SCHEMBL15984746 0.71 ERN1 (0.44) PIM1ADORA2AMAPTLRRK2FGFR3
SCHEMBL6069364 0.71 CCNB2 (0.45) ADORA2AMAPT
SCHEMBL24713133 0.70 LRRK2 (0.44) PIM1MAPK1AXLLRRK2
SCHEMBL26242520 0.70 PIM1 (0.39) PIM1ADORA2AMAPK1AXLLRRK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9440970-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-09-13 US disclosed
US-20150133448-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-05-14 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-20150133448-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A PIM1 2159/4885KDM5B 1133/4885ADORA2A 930/4885

“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.