SCHEMBL19253607

SCHEMBL19253607

O=C(c1ccc(Br)cc1)N1CCSCC1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.70
ALDH1A1 P00352 2/20 0.69
HSD17B10 Q99714 1/20 0.69
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA7 P43166 1/20 0.57
CA9 Q16790 1/20 0.57
CA14 Q9ULX7 1/20 0.57
POLB P06746 1/20 0.57
L3MBTL3 Q96JM7 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
ABL1 P00519 2/20 0.55
BCR P11274 2/20 0.55
KMT2A Q03164 1/20 0.53
LMNA P02545 1/20 0.53
GPR183 P32249 1/20 0.51
MGLL Q99685 1/20 0.51
HSD11B1 P28845 1/20 0.51

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
SCHEMBL4506219 0.83 HPGD (0.71) HPGDALDH1A1HSD17B10L3MBTL3LMNA
SCHEMBL971083 0.82 HPGD (1.00) HPGDALDH1A1CA12CA1CA2
SCHEMBL644199 0.82 HPGD (0.92) HPGDALDH1A1CA12CA1CA2
SCHEMBL3152770 0.81 HPGD (0.69) HPGDALDH1A1HSD17B10CA12CA1
SCHEMBL18920327 0.81 HPGD (0.69) HPGDALDH1A1HSD17B10L3MBTL3KMT2A
SCHEMBL20460601 0.81 HPGD (0.69) HPGDALDH1A1HSD17B10L3MBTL3MGLL
SCHEMBL20460602 0.81 HPGD (1.00) HPGDALDH1A1HSD17B10KMT2ALMNA
SCHEMBL97125 0.81 HPGD (0.69) HPGDALDH1A1HSD17B10POLBL3MBTL3
SCHEMBL24185725 0.81 HPGD (0.96) HPGDALDH1A1CA12CA1CA2
Hydrochloric Acid SCHEMBL21590292 0.81 HPGD (0.89) HPGDALDH1A1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373985-A1 KINASE MODULATORS AND METHODS OF USE THEREOF ORIGENIS GMBH (DE) 2023-11-23 US disclosed
US-20230373985-A1 KINASE MODULATORS AND METHODS OF USE THEREOF ORIGENIS GMBH (DE) 2023-11-23 US disclosed
WO-2022011338-A2 KINASE MODULATORS AND METHODS OF USE THEREOF ORIGENIS GMBH (DE) 2022-01-13 WO disclosed
WO-2022011337-A1 KINASE MODULATORS AND METHODS OF USE THEREOF ORIGENIS GMBH (DE) 2022-01-13 WO disclosed
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 (3 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-20230373985-A1 KINASE MODULATORS AND METHODS OF USE THEREOF TYK2, MAPKAPK2, MAP3K20 HPGD 4226/4885ALDH1A1 4878/4885HSD17B10 4342/4885
US-20170240567-A1 ETHYL N-BOC PIPERIDINYL PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS JAK1, JAK2, JAK3 HPGD 853/4885ALDH1A1 2779/4885HSD17B10 4121/4885
US-10072025-B2 Ethyl N-boc piperidinyl pyrazolo pyridones as Janus kinase inhibitors JAK1, JAK2, JAK3 HPGD 853/4885ALDH1A1 2779/4885HSD17B10 4121/4885

“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.