SCHEMBL19202628

SCHEMBL19202628

CC(C)(C)OC(=O)N1CCC(c2cc3cn[nH]c3c(-c3ccc(C(=O)O)cc3)n2)C1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BTK Q06187 4/20 0.55
HPGDS O60760 3/20 0.45
ACACB O00763 6/20 0.44
HTT P42858 2/20 0.44
GPR119 Q8TDV5 2/20 0.43
PIK3CD O00329 1/20 0.42
USP30 Q70CQ3 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
CRHBP P24387 1/20 0.41
KMT2A Q03164 1/20 0.41
CRHR2 Q13324 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL19202629 0.92 BTK (0.54) BTKHPGDSACACBHTTGPR119
SCHEMBL19203181 0.89 BTK (0.70) BTKHPGDSHTT
SCHEMBL19202625 0.84 BTK (0.77) BTKUSP30
SCHEMBL19203192 0.83 BTK (0.55) BTKACACBHTTGPR119KDM4E
SCHEMBL19203196 0.80 BTK (0.74) BTKHPGDSACACBGPR119
SCHEMBL19202666 0.78 BTK (0.54) BTKHPGDSACACBHTTGPR119
SCHEMBL20572741 0.75 BTK (0.61) BTKACACBUSP30
SCHEMBL4965437 0.73 PDE4B (0.57) HPGDSGPR119USP30KDM4EKMT2A
SCHEMBL19202632 0.73 ACACB (0.42) BTKACACBGPR119
SCHEMBL19202386 0.73 BTK (0.70) BTK

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
CN-108602818-B Pyrazole fused ring derivatives, preparation method thereof and application thereof in treating cancer, inflammation and immune diseases 北京诺诚健华医药科技有限公司 2021-12-21 CN disclosed
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-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
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
EP-3409672-A1 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) 2018-12-05 EP 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 BTK 1/4885HPGDS 1282/4885ACACB 3969/4885
US-20190016721-A1 FUSED PYRAZOLE DERIVATIVES, PREPARATION METHOD THEREOF, AND USE THEREOF IN TREATMENT OF CANCERS, INFLAMMATION AND IMMUNE DISEASES BTK, SYK, JAK1 BTK 1/4885HPGDS 1282/4885ACACB 3969/4885

“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.