SCHEMBL19253727

SCHEMBL19253727

Brc1ccc(C2=NCCCCC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 12/20 0.63
CHRNA3 P32297 12/20 0.63
LMNA P02545 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CHRNA7 P36544 2/20 0.45
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP1A2 P05177 1/20 0.42
THRB P10828 1/20 0.42
CYP2C19 P33261 1/20 0.42
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.38

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
SCHEMBL16098695 0.98 CHRNB4 (0.66) CHRNB4CHRNA3LMNANPC1RAB9A
SCHEMBL2045328 0.92 CHRNB4 (0.57) CHRNB4CHRNA3LMNANPC1RAB9A
SCHEMBL20310968 0.85 CHRNB4 (0.51) CHRNB4CHRNA3LMNANPC1RAB9A
SCHEMBL6797483 0.79 CHRNB4 (0.96) CHRNB4CHRNA3LMNARAB9ASMN1; SMN2
SCHEMBL24233984 0.78 CHRNB4 (0.64) CHRNB4CHRNA3CHRNA7ALDH1A1MAPT
SCHEMBL8151174 0.78 CHRNB4 (0.64) CHRNB4CHRNA3NPC1RAB9ACHRNA7
SCHEMBL895500 0.77 CHRNB4 (1.00) CHRNB4CHRNA3LMNARAB9ASMN1; SMN2
SCHEMBL4967805 0.77 CHRNB4 (0.57) CHRNB4CHRNA3LMNACHRNA7ALDH1A1
SCHEMBL30989312 0.76 CHRNB4 (1.00) CHRNB4CHRNA3LMNASMN1; SMN2CHRNA7
SCHEMBL19318743 0.73 CHRNB4 (0.42) CHRNB4CHRNA3RAB9AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3209296-B1 ETHYL N-BOC PIPERIDINYL PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2019-07-10 EP disclosed
EP-3209296-B1 ETHYL N-BOC PIPERIDINYL PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2019-07-10 EP disclosed
US-10072025-B2 Ethyl N-boc piperidinyl pyrazolo pyridones as Janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2018-09-11 US disclosed
EP-3209296-A1 ETHYL N-BOC PIPERIDINYL PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-08-30 EP disclosed
US-20170240567-A1 ETHYL N-BOC PIPERIDINYL PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-08-24 US disclosed
US-20170240567-A1 ETHYL N-BOC PIPERIDINYL PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-08-24 US disclosed
US-20170240567-A1 ETHYL N-BOC PIPERIDINYL PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-08-24 US 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-20170240567-A1 ETHYL N-BOC PIPERIDINYL PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS JAK1, JAK2, JAK3 CHRNB4 4096/4885CHRNA3 3579/4885LMNA 2894/4885
US-10072025-B2 Ethyl N-boc piperidinyl pyrazolo pyridones as Janus kinase inhibitors JAK1, JAK2, JAK3 CHRNB4 4096/4885CHRNA3 3579/4885LMNA 2894/4885

“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.