Sugi Predict

Sugi Predict / Compounds / SCHEMBL19202665

SCHEMBL19202665

SCHEMBL19202665

CC(=O)Nc1c(C)cc(C2CCN(C(=O)OC(C)(C)C)CC2)nc1-c1ccc(Oc2ccccn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.44
▸ PRMT5 O14744 2/20 0.42
▸ TNK2 Q07912 1/20 0.41
▸ GPR119 Q8TDV5 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ PDE10A Q9Y233 1/20 0.41
▸ USP30 Q70CQ3 1/20 0.41
▸ BTK Q06187 2/20 0.40
▸ MAPT P10636 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ THRB P10828 1/20 0.40
▸ HPGD P15428 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL19202664 0.87 TNK2 (0.48) TP53PRMT5TNK2GPR119HTT
SCHEMBL19203188 0.83 CHEK2 (0.45) TP53PRMT5GPR119HTTMAPT
SCHEMBL19202666 0.81 BTK (0.54) PRMT5TNK2GPR119HTTPDE10A
SCHEMBL19202377 0.80 JAK2 (0.43) TP53PRMT5TNK2GPR119BTK
SCHEMBL19203212 0.78 USP30 (0.44) TP53TNK2USP30BTKMEN1
SCHEMBL31615913 0.77 GPR119 (0.55) GPR119HTTPDE10A
SCHEMBL4080053 0.70 GPR119 (0.65) GPR119USP30MAPTTHRBKDM4E
SCHEMBL30469398 0.70 GPR119 (0.65) GPR119USP30MAPTTHRBKDM4E
SCHEMBL29118675 0.70 GPR119 (0.47) TP53PRMT5GPR119HTTHPGD
Acetic Acid SCHEMBL27822211 0.70 GPR119 (0.61) PRMT5GPR119USP30GAATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TP53 320/4885PRMT5 645/4885TNK2 328/4885
US-20190016721-A1 FUSED PYRAZOLE DERIVATIVES, PREPARATION METHOD THEREOF, AND USE THEREOF IN TREATMENT OF CANCERS, INFLAMMATION AND IMMUNE DISEASES BTK, SYK, JAK1 TP53 320/4885PRMT5 645/4885TNK2 328/4885

“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.