SCHEMBL2250256

SCHEMBL2250256

CC(C)(C)c1cc(N)n(-c2cc(F)cc(F)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 2/20 0.40
GRN P28799 1/20 0.36
SORT1 Q99523 1/20 0.36
MAPT P10636 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CDK8 P49336 1/20 0.35
MAPK1 P28482 1/20 0.35
MAPK14 Q16539 3/20 0.34
MAPK13 O15264 2/20 0.33

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
SCHEMBL16279951 0.89 KDM4E (0.37) KDM4ENPC1RAB9ASMN1; SMN2LMNA
SCHEMBL16280403 0.85 ALDH1A1 (0.35) KDM4ENPC1RAB9ASMN1; SMN2LMNA
SCHEMBL274692 0.85 NPC1 (0.57) KDM4ENPC1RAB9ASMN1; SMN2LMNA
SCHEMBL31388010 0.84 MAPK14 (0.48) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL1012452 0.84 MAPK14 (0.48) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL1014042 0.84 CYP11B2 (0.39) KDM4ENPC1RAB9ASMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL28700813 0.83 MAPK14 (0.47) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL31265748 0.80 LMNA (0.37) KDM4ENPC1RAB9ASMN1; SMN2LMNA
SCHEMBL31388019 0.79 TRPV1 (0.42) KDM4ENPC1RAB9ASMN1; SMN2LMNA
SCHEMBL12982424 0.79 TRPV1 (0.37) GRNSORT1CDK8MAPK14MAPK13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119490458-A C-3 pyrazole substituted indazole derivative and application thereof 沈阳药科大学 2025-02-21 CN disclosed
WO-2025035645-A1 C-3 PYRAZOLE SUBSTITUTED INDAZOLE DERIVATIVE AND USE THEREOF 沈阳药科大学 2025-02-20 WO disclosed
US-20110195110-A1 UREA COMPOUNDS USEFUL IN THE TREATMENT OF CANCER BAYER HEALTHCARE LLC 2011-08-11 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 (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-20110195110-A1 UREA COMPOUNDS USEFUL IN THE TREATMENT OF CANCER UMPS, SLC14A1, CPS1 KDM4E 2020/4885NPC1 1587/4885RAB9A 1872/4885

“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.