SCHEMBL16320667

SCHEMBL16320667

Cc1ncc(F)c(-c2cnn(C)c2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 5/20 0.50
CCNE1 P24864 5/20 0.50
CDK2 P24941 5/20 0.50
CCNB2 O95067 4/20 0.50
CDK1 P06493 4/20 0.50
CCNB1 P14635 4/20 0.50
CDK5 Q00535 4/20 0.50
CDK5R1 Q15078 4/20 0.50
CCNB3 Q8WWL7 4/20 0.50
CCNT1 O60563 3/20 0.50
CDK9 P50750 3/20 0.50
AXL P30530 1/20 0.43
TYRO3 Q06418 1/20 0.43
MERTK Q12866 1/20 0.43
MAP4K1 Q92918 3/20 0.40
PIM1 P11309 3/20 0.39
ERN1 O75460 1/20 0.38
PFKFB3 Q16875 1/20 0.37
KDM5B Q9UGL1 2/20 0.36
MKNK1 Q9BUB5 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
SCHEMBL16561261 0.83 JAK2 (0.44) CDK2AXLPIM1KDM5BPDE10A
SCHEMBL17059212 0.82 CCNE2 (0.49) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL16340750 0.80 CCNB2 (0.50) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL16320610 0.80 CDK2 (0.47) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL16561353 0.72 PIM1 (0.38) AXLPIM1KDM5B
SCHEMBL13807047 0.72 LRRK2 (0.45) PIM1ERN1MKNK1FLT3
SCHEMBL16320539 0.72 ALDH1A1 (0.40) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL16701022 0.70 PIM1 (0.42) CDK2AXLTYRO3MERTKPIM1
SCHEMBL31276400 0.70 PIM1 (0.47) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL16320327 0.70 SIGMAR1 (0.42) CCNE2CCNE1CDK2CCNB2CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9777000-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2017-10-03 US disclosed
US-20160347751-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-12-01 US disclosed
US-9458157-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-10-04 US disclosed
US-9453015-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-09-27 US disclosed
US-20150166536-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-06-18 US disclosed
US-20150132327-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-05-14 US disclosed
US-20140378447-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-12-25 US disclosed
US-20140378448-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-12-25 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 (5 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-20150166536-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A CCNE2 4595/4885CCNE1 4053/4885CDK2 1797/4885
US-20140378447-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A CCNE2 4595/4885CCNE1 4053/4885CDK2 1797/4885
US-20160347751-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A CCNE2 4595/4885CCNE1 4053/4885CDK2 1797/4885
US-20140378448-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A CCNE2 4595/4885CCNE1 4053/4885CDK2 1797/4885
US-20150132327-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A CCNE2 4595/4885CCNE1 4053/4885CDK2 1797/4885

“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.