SCHEMBL30107034

SCHEMBL30107034

O=C(Nc1ccncc1)c1c(C(F)(F)F)cnn1CC1CCC(F)(F)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
FLT1 P17948 10/20 0.41
KDR P35968 10/20 0.41
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
HTT P42858 1/20 0.40
TYK2 P29597 1/20 0.39
NR3C1 P04150 1/20 0.38
HIF1A Q16665 2/20 0.38
EPAS1 Q99814 2/20 0.38
FLT3 P36888 1/20 0.38
KMT2A Q03164 1/20 0.37
TRPV1 Q8NER1 1/20 0.36

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
SCHEMBL24757356 0.86 SCN10A (0.48) AKR1C3AKR1C2
SCHEMBL24758355 0.84 SCN10A (0.48)
SCHEMBL24906410 0.84 SCN10A (0.53)
SCHEMBL24758976 0.82 AKR1C3 (0.40) FLT1KDRAKR1C3AKR1C2NR3C1
SCHEMBL30141407 0.82 AKR1C3 (0.46) AKR1C3AKR1C2KMT2A
SCHEMBL24757793 0.82 AKR1C3 (0.46) AKR1C3AKR1C2KMT2A
SCHEMBL24906446 0.82 AKR1C3 (0.40) FLT1KDRAKR1C3AKR1C2NR3C1
SCHEMBL24906217 0.82 SCN10A (0.43) FLT1KDRAKR1C3AKR1C2
SCHEMBL24906428 0.82 AKR1C3 (0.40) FLT1KDRAKR1C3AKR1C2NR3C1
SCHEMBL30141357 0.82 SCN10A (0.43) FLT1KDRAKR1C3AKR1C2

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 POLB 4395/4885FLT1 2963/4885KDR 2752/4885
US-20230025025-A1 SUBSTITUTED PYRAZOLE AMIDES SCN8A, SCN1A, SCN7A POLB 4395/4885FLT1 2963/4885KDR 2752/4885

“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.