SCHEMBL21622352

SCHEMBL21622352

Cc1c(-c2cnc(C3(F)CN(C(=O)OC(C)(C)C)C3)nc2)nn(-c2ccccc2)c1N

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
PIK3CA P42336 4/20 0.38
CKS1B P61024 2/20 0.38
SKP1 P63208 2/20 0.38
SKP2 Q13309 2/20 0.38
USP30 Q70CQ3 3/20 0.37
NTRK1 P04629 1/20 0.37
PIK3R1 P27986 3/20 0.36
POLB P06746 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
TP53 P04637 2/20 0.35
THRB P10828 2/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 1/20 0.35
SCD5 Q86SK9 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL29184419 0.81 PTPN11 (0.52) PIK3CACKS1BSKP1SKP2GPR119
SCHEMBL21622377 0.78 NTRK1 (0.43) NTRK1PIK3R1POLBLMNAMAPT
SCHEMBL15716244 0.77 LMNA (0.40) ALOX5APFEN1PIK3CAUSP30POLB
SCHEMBL15716222 0.73 USP30 (0.43) USP30POLBGPR119TP53THRB
SCHEMBL20217955 0.72 GRM1 (0.56)
SCHEMBL15716055 0.72 OPRD1 (0.43) USP30POLBGPR119TP53THRB
SCHEMBL20218052 0.72 HPGD (0.45) POLBTP53LMNAMAPTHPGD
SCHEMBL15716059 0.71 GPR119 (0.40) USP30POLBGPR119TP53THRB
SCHEMBL21622271 0.71 NR1H2 (0.41) CKS1BSKP1SKP2USP30POLB
SCHEMBL15715960 0.70 RAB9A (0.49) NTRK1PIK3R1POLBLMNAMAPT

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-20210147436-A1 PYRROLIDINYL UREA DERIVATIVES AND APPLICATION THEREOF IN TRKA-RELATED DISEASES ZHANGZHOU PIEN TZE HUANG PHARMACEUTICAL CO., LTD. (CN) 2021-05-20 US disclosed
EP-3822266-A1 PYRROLIDINYL UREA DERIVATIVES AND APPLICATION THEREOF IN TRKA-RELATED DISEASES Zhangzhou Pien Tze Huang Pharmaceutical Co., Ltd (CN) 2021-05-19 EP disclosed
WO-2020011227-A1 PYRROLIDINYL UREA DERIVATIVES AND APPLICATION THEREOF IN TRKA-RELATED DISEASES 南京明德新药研发有限公司 2020-01-16 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 (1 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-20210147436-A1 PYRROLIDINYL UREA DERIVATIVES AND APPLICATION THEREOF IN TRKA-RELATED DISEASES NGF, RET, NTRK1 ALOX5AP 3986/4885FEN1 4177/4885PIK3CA 573/4885

“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.