SCHEMBL30107016

SCHEMBL30107016

COC(=O)c1[nH]ncc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
ALOX15 P16050 1/20 0.43
KDM4C Q9H3R0 1/20 0.42
ALPL P05186 3/20 0.41
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK10 P53779 1/20 0.40
CDK2 P24941 4/20 0.38
CCNA2 P20248 3/20 0.38
CCNA1 P78396 2/20 0.38
MAPK1 P28482 2/20 0.38
PDPK1 O15530 1/20 0.37
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CDK1 P06493 2/20 0.35
CCNB1 P14635 2/20 0.35
POLB P06746 2/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL23234024 0.80 KMT2A (0.53) TSHRMAPK1NPSR1L3MBTL1ALDH1A1
SCHEMBL12233266 0.78 TSHR (0.65) TSHRKDM4CMAPK8MAPK9MAPK10
SCHEMBL1430587 0.78 TSHR (0.50) TSHRKDM4CALPLMAPK8MAPK9
SCHEMBL27316084 0.78
SCHEMBL21643603 0.77 PDPK1 (0.60) TSHRALOX15KDM4CMAPK8MAPK9
SCHEMBL15519155 0.77 TSHR (0.49) TSHRALOX15KDM4CALPLMAPK8
SCHEMBL25424983 0.77 TSHR (0.49) TSHRKDM4CALPLMAPK8MAPK9
SCHEMBL16427401 0.77 TSHR (0.49) TSHRALOX15KDM4CALPLMAPK8
SCHEMBL20139853 0.77 TSHR (0.49) TSHRKDM4CMAPK8MAPK9MAPK10
SCHEMBL31386825 0.76 TSHR (0.47) TSHRALOX15KDM4CMAPK8MAPK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11999699-B2 Substituted pyrazole amides Grünenthal GmbH (DE) 2024-06-04 US disclosed
US-20230025025-A1 SUBSTITUTED PYRAZOLE AMIDES GRUENENTHAL GMBH (DE) 2023-01-26 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-11999699-B2 Substituted pyrazole amides SCN8A, SCN1A, SCN7A TSHR 2437/4885ALOX15 2368/4885KDM4C 3311/4885
US-20230025025-A1 SUBSTITUTED PYRAZOLE AMIDES SCN8A, SCN1A, SCN7A TSHR 2437/4885ALOX15 2368/4885KDM4C 3311/4885

“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.