SCHEMBL18916807

SCHEMBL18916807

Cc1ncc(C)c(-c2cn(C)nc2C(N)=O)n1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
IRAK4 Q9NWZ3 11/20 0.34
PDE10A Q9Y233 2/20 0.34
CCNA2 P20248 2/20 0.33
CDK2 P24941 2/20 0.33
CDK4 P11802 1/20 0.33
CCND3 P30281 1/20 0.33
CDK6 Q00534 1/20 0.33
S1PR2 O95136 1/20 0.33
SYK P43405 1/20 0.33
MITF O75030 1/20 0.33
CCNA1 P78396 1/20 0.33

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
SCHEMBL16320778 0.77 ALDH1A1 (0.41) CDK2S1PR2
SCHEMBL18916737 0.73 MAPT (0.34) PDE10A
SCHEMBL15006470 0.71 DPP4 (0.39) ADORA2AADORA1SYK
SCHEMBL3081863 0.71 ADORA2A (0.49) ADORA2AADORA1IRAK4
SCHEMBL18916804 0.70 ADORA2A (0.39) ADORA2AADORA1IRAK4CCNA2CDK2
Hydrochloric Acid SCHEMBL4030867 0.70 ADORA2A (0.47) ADORA2AADORA1IRAK4
Hydrochloric Acid SCHEMBL4032485 0.70 ADORA2A (0.47) ADORA2AADORA1IRAK4
SCHEMBL19182622 0.69 TGFBR1 (0.33) SYK
SCHEMBL14335004 0.67 IRAK4 (0.51) ADORA2AADORA1IRAK4
SCHEMBL16003798 0.66 KDM4E (0.35) ADORA2AADORA1PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190071441-A1 PYRAZOLE DERIVATIVE MANUFACTURING METHOD MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2019-03-07 US disclosed
US-10174025-B2 Pyrazole derivative manufacturing method MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2019-01-08 US disclosed
US-20180099964-A1 PYRAZOLE DERIVATIVE MANUFACTURING METHOD MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2018-04-12 US disclosed
US-9879009-B2 Pyrazole derivative manufacturing method MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2018-01-30 US disclosed
US-20170217958-A1 PYRAZOLE DERIVATIVE MANUFACTURING METHOD MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 US disclosed
EP-3176167-A1 PYRAZOLE DERIVATIVE MANUFACTURING METHOD Mochida Pharmaceutical Co., Ltd. (JP) 2017-06-07 EP 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 (4 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-20170217958-A1 PYRAZOLE DERIVATIVE MANUFACTURING METHOD CYP3A7, CYP2C19, CYP3A5 ADORA2A 2558/4885ADORA1 2205/4885IRAK4 1517/4885
US-10174025-B2 Pyrazole derivative manufacturing method CYP3A5, CYP3A7, CYP3A4 ADORA2A 2224/4885ADORA1 1954/4885IRAK4 858/4885
US-20180099964-A1 PYRAZOLE DERIVATIVE MANUFACTURING METHOD CYP3A5, CYP3A7, CYP3A4 ADORA2A 2224/4885ADORA1 1954/4885IRAK4 858/4885
US-20190071441-A1 PYRAZOLE DERIVATIVE MANUFACTURING METHOD CYP3A5, CYP3A7, CYP3A4 ADORA2A 2224/4885ADORA1 1954/4885IRAK4 858/4885

“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.