SCHEMBL21622307

SCHEMBL21622307

Cc1cnc2c(c1)CN(CCO)C2

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.34
FLT3 P36888 2/20 0.34
ALDH1A1 P00352 3/20 0.33
LMNA P02545 3/20 0.33
THRB P10828 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
PDCD1 Q15116 4/20 0.32
CD274 Q9NZQ7 4/20 0.32
HTR7 P34969 1/20 0.32
HSD17B10 Q99714 1/20 0.31
CYP2C19 P33261 2/20 0.31

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
SCHEMBL25975832 0.88 PDCD1 (0.42) JAK2FLT3LMNAADORA2AADORA1
SCHEMBL21626710 0.81 LMNA (0.32) ALDH1A1LMNAADORA2AADORA1
SCHEMBL17409808 0.81 KMT2A (0.34) ALDH1A1LMNATSHRMAPK1ADORA2A
SCHEMBL21937114 0.81 ABHD6 (0.42) ADORA2ACYP2C19
SCHEMBL14907172 0.77 CCR1 (0.34) CYP2C19
SCHEMBL26032297 0.74
SCHEMBL14853093 0.71 CYP2C19 (0.45) ALDH1A1LMNATSHRADORA2AADORA1
SCHEMBL30073129 0.70 LMNA (0.40) ALDH1A1LMNATHRBTSHRMAPK1
SCHEMBL21622308 0.70 DPP8 (0.41) ALDH1A1LMNAADORA2APDCD1CD274
SCHEMBL14566143 0.70 CDK4 (0.41) JAK2LMNAADORA2AADORA1

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
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-2020083377-A1 PYRROLIDINYL UREA DERIVATIVES AND APPLICATION THEREOF 南京明德新药研发有限公司 2020-04-30 WO 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 JAK2 1223/4885FLT3 81/4885ALDH1A1 2421/4885

“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.