SCHEMBL30155489

SCHEMBL30155489

CC(C)(NC(=O)OCc1ccccc1)c1ncc[nH]1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
CTSS P25774 1/20 0.42
SYK P43405 1/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
TACR1 P25103 1/20 0.40

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
SCHEMBL9986053 0.78 MEN1 (0.46) MEN1KMT2APOLBSMN1; SMN2CTSS
Hydrochloric Acid SCHEMBL7046065 0.78 ALDH1A1 (0.41) MEN1KMT2APOLBCA12CA1
SCHEMBL1929388 0.75 ROCK2 (0.47) MEN1KMT2ASMN1; SMN2CTSSTACR1
SCHEMBL503402 0.75 MEN1 (0.57) MEN1KMT2APOLBSMN1; SMN2CTSS
SCHEMBL14151548 0.75 SMN1; SMN2 (0.46) MEN1KMT2APOLBSMN1; SMN2CTSS
SCHEMBL8880230 0.75 ATM (0.46) POLBCTSSSYKATM
SCHEMBL4442846 0.75 KMT2A (0.60) MEN1KMT2APOLBSMN1; SMN2CTSS
SCHEMBL11838904 0.74 ALDH1A1 (0.40) MEN1KMT2APOLBCA12CA1
SCHEMBL26791515 0.74 SMN1; SMN2 (0.46) MEN1KMT2APOLBSMN1; SMN2CTSS
SCHEMBL6444094 0.74 MEN1 (0.56) MEN1KMT2APOLBSMN1; SMN2CTSS

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
US-20240317721-A1 PYRAZOLYL DERIVATIVES AS INHIBITORS OF THE KRAS MUTANT PROTEIN NOVARTIS AG (CH) 2024-09-26 US disclosed
EP-4359081-A1 PYRAZOLYL DERIVATIVES AS INHIBITORS OF THE KRAS MUTANT PROTEIN Novartis AG (CH) 2024-05-01 EP disclosed
WO-2022269508-A1 PYRAZOLYL DERIVATIVES AS INHIBITORS OF THE KRAS MUTANT PROTEIN NOVARTIS AG (CH) 2022-12-29 WO 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-20240317721-A1 PYRAZOLYL DERIVATIVES AS INHIBITORS OF THE KRAS MUTANT PROTEIN KRAS, NRAS, APC MEN1 1128/4885KMT2A 3143/4885POLB 2501/4885

“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.