SCHEMBL19203191

SCHEMBL19203191

Cc1cc(C2=CCN(C(=O)OC(C)(C)C)CC2)ncc1N

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 11/20 0.53
GRM5 P41594 10/20 0.53
WNT3A P56704 1/20 0.49
CYP11B2 P19099 1/20 0.48
PDK4 Q16654 1/20 0.46
GPR119 Q8TDV5 2/20 0.46
TNK2 Q07912 2/20 0.46
NAMPT P43490 1/20 0.45
ATR Q13535 1/20 0.44

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
SCHEMBL17614636 0.85 GRM1 (0.52) GRM1GRM5WNT3ACYP11B2PDK4
SCHEMBL25480363 0.84 GRM1 (0.51) GRM1GRM5WNT3ACYP11B2PDK4
SCHEMBL18409268 0.83 GRM1 (0.52) GRM1GRM5WNT3ACYP11B2PDK4
SCHEMBL23730448 0.83 GRM1 (0.56) GRM1GRM5WNT3ACYP11B2PDK4
SCHEMBL29977306 0.83 GRM1 (0.53) GRM1GRM5WNT3ACYP11B2PDK4
SCHEMBL21245864 0.83 GRM1 (0.53) GRM1GRM5WNT3ACYP11B2PDK4
SCHEMBL19203197 0.82 NR1H2 (0.41) GRM1GRM5GPR119
SCHEMBL30198712 0.82 GRM1 (0.55) GRM1GRM5WNT3ACYP11B2PDK4
SCHEMBL13096687 0.82 GRM1 (0.55) GRM1GRM5WNT3ACYP11B2PDK4
SCHEMBL19355528 0.82 GRM1 (0.53) GRM1GRM5WNT3ACYP11B2PDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3409672-B1 PARAZOLE CONDENSED-RING DERIVATIVES AND PREPARATION METHOD THEREOF AND APPLICATION THEREOF IN TREATMENT OF CANCERS, INFLAMMATION AND IMMUNE DISEASES BEIJING INNOCARE PHARMA TECH CO LTD (CN) 2021-12-08 EP disclosed
US-10336755-B2 Fused pyrazole derivatives, preparation method thereof, and use thereof in treatment of cancers, inflammation and immune diseases BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2019-07-02 US disclosed
US-20190016721-A1 FUSED PYRAZOLE DERIVATIVES, PREPARATION METHOD THEREOF, AND USE THEREOF IN TREATMENT OF CANCERS, INFLAMMATION AND IMMUNE DISEASES BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2019-01-17 US disclosed
WO-2017128917-A1 PARAZOLE CONDENSED-RING DERIVATIVES AND PREPARATION METHOD THEREOF AND APPLICATION THEREOF IN TREATMENT OF CANCERS, INFLAMMATION AND IMMUNE DISEASES 北京诺诚健华医药科技有限公司 2017-08-03 WO 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 (2 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-10336755-B2 Fused pyrazole derivatives, preparation method thereof, and use thereof in treatment of cancers, inflammation and immune diseases BTK, SYK, JAK1 GRM1 2755/4885GRM5 1950/4885WNT3A 1956/4885
US-20190016721-A1 FUSED PYRAZOLE DERIVATIVES, PREPARATION METHOD THEREOF, AND USE THEREOF IN TREATMENT OF CANCERS, INFLAMMATION AND IMMUNE DISEASES BTK, SYK, JAK1 GRM1 2755/4885GRM5 1950/4885WNT3A 1956/4885

“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.