SCHEMBL19202632

SCHEMBL19202632

COC(=O)c1ccc(-c2nc(C3=CCN(C(=O)OC(C)(C)C)C3)cc3cn[nH]c23)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 8/20 0.42
PKM P14618 1/20 0.40
ACACA Q13085 1/20 0.37
CDK7 P50613 1/20 0.37
CDK13 Q14004 1/20 0.37
CDK12 Q9NYV4 1/20 0.37
ROCK2 O75116 1/20 0.36
BTK Q06187 2/20 0.36
NAMPT P43490 1/20 0.36
GPR119 Q8TDV5 2/20 0.35
ATR Q13535 1/20 0.35
NR1H2 P55055 1/20 0.35
BACE1 P56817 1/20 0.34

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
SCHEMBL19203182 0.85 BTK (0.50) ACACBBTKNAMPT
SCHEMBL19202629 0.81 BTK (0.54) ACACBPKMBTKGPR119
SCHEMBL22619202 0.74 PIK3CD (0.43) ACACBCDK7CDK13CDK12NAMPT
SCHEMBL31479266 0.73 NR1H2 (0.40) ACACBNAMPTNR1H2
SCHEMBL19202628 0.73 BTK (0.55) ACACBBTKGPR119
SCHEMBL19877675 0.72 PKM (0.42) PKMNAMPTATRBACE1
SCHEMBL3466461 0.71 PDK4 (0.44) NAMPTGPR119NR1H2
SCHEMBL19202630 0.71 MAP2K4 (0.50) ACACBPKMACACA
SCHEMBL2951348 0.71 NAMPT (0.60) PKMCDK7CDK13CDK12NAMPT
SCHEMBL31598654 0.71 NR1H2 (0.42) NAMPTGPR119NR1H2

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 ACACB 3969/4885PKM 663/4885ACACA 4138/4885
US-20190016721-A1 FUSED PYRAZOLE DERIVATIVES, PREPARATION METHOD THEREOF, AND USE THEREOF IN TREATMENT OF CANCERS, INFLAMMATION AND IMMUNE DISEASES BTK, SYK, JAK1 ACACB 3969/4885PKM 663/4885ACACA 4138/4885

“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.