SCHEMBL16320327

SCHEMBL16320327

Cc1ncnc(-c2cnn(C)c2)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.42
PIM1 P11309 2/20 0.39
KIT P10721 1/20 0.38
PRMT5 O14744 1/20 0.37
LRRK2 Q5S007 3/20 0.37
MAP4K1 Q92918 2/20 0.37
AXL P30530 3/20 0.37
PDK2 Q15119 1/20 0.36
CCNB2 O95067 3/20 0.36
CDK1 P06493 3/20 0.36
CCNB1 P14635 3/20 0.36
CDK5 Q00535 3/20 0.36
CDK5R1 Q15078 3/20 0.36
CCNB3 Q8WWL7 3/20 0.36
CCNT1 O60563 3/20 0.36
CCNE2 O96020 3/20 0.36
CCNE1 P24864 3/20 0.36
CDK2 P24941 3/20 0.36
CDK9 P50750 3/20 0.36
P2RX7 Q99572 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
SCHEMBL14983673 0.83 SIGMAR1 (0.44) SIGMAR1PIM1KITPRMT5LRRK2
SCHEMBL24921167 0.80 MAP4K1 (0.43) SIGMAR1PIM1KITPRMT5LRRK2
SCHEMBL16701213 0.72 AXL (0.41) SIGMAR1PIM1KITLRRK2AXL
SCHEMBL16340870 0.71 COMT (0.39) KITLRRK2CCNB2CDK1CCNB1
SCHEMBL31428664 0.71 GRM4 (0.65) SIGMAR1PIM1KITPRMT5AXL
SCHEMBL16701022 0.70 PIM1 (0.42) PIM1LRRK2AXLCDK2
SCHEMBL31276400 0.70 PIM1 (0.47) PIM1MAP4K1AXLCCNB2CDK1
SCHEMBL16320667 0.70 CCNE2 (0.50) PIM1KITMAP4K1AXLCCNB2
SCHEMBL13695778 0.68 LRRK2 (0.55) KITLRRK2
SCHEMBL18269353 0.68 ERN1 (0.49) LRRK2PDK2

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 SIGMAR1 2001/4885PIM1 2159/4885KIT 3948/4885
US-20140378447-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A SIGMAR1 2001/4885PIM1 2159/4885KIT 3948/4885
US-20160347751-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A SIGMAR1 2001/4885PIM1 2159/4885KIT 3948/4885
US-20140378448-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A SIGMAR1 2001/4885PIM1 2159/4885KIT 3948/4885
US-20150132327-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A SIGMAR1 2001/4885PIM1 2159/4885KIT 3948/4885

“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.