SCHEMBL24801993

SCHEMBL24801993

C[C@@H](CN)NCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.68
POLB P06746 2/20 0.49
BCHE P06276 1/20 0.47
IDO1 P14902 2/20 0.46
THRB P10828 1/20 0.46
LMNA P02545 1/20 0.46
TAAR1 Q96RJ0 2/20 0.45
SLC18A2 Q05940 1/20 0.45
CYP3A4 P08684 2/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL3112736 1.00 SIGMAR1 (0.68) SIGMAR1POLBBCHEIDO1THRB
SCHEMBL20525543 0.89 SIGMAR1 (0.52) SIGMAR1BCHEKDM4ESMN1; SMN2
SCHEMBL3413593 0.82 SIGMAR1 (0.65) SIGMAR1POLBIDO1THRBTAAR1
SCHEMBL11235861 0.82 SMN1; SMN2 (0.51) SIGMAR1POLBTHRBLMNATAAR1
N-Benzylamphetamine SCHEMBL2798189 0.81 SIGMAR1 (1.00) SIGMAR1POLBLMNATAAR1SLC18A2
N-Benzylamphetamine SCHEMBL2451256 0.81 SIGMAR1 (1.00) SIGMAR1POLBLMNATAAR1SLC18A2
N-Benzylamphetamine SCHEMBL2795222 0.81 SIGMAR1 (1.00) SIGMAR1POLBLMNATAAR1SLC18A2
SCHEMBL172633 0.81 SIGMAR1 (0.70) SIGMAR1POLBBCHELMNATAAR1
SCHEMBL13675825 0.81 SIGMAR1 (0.70) SIGMAR1POLBBCHELMNATAAR1
SCHEMBL172363 0.81 SIGMAR1 (0.70) SIGMAR1POLBBCHELMNATAAR1

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 5 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
CN-117425649-A Pyrazole derivatives as KRAS mutein inhibitors 诺华股份有限公司 2024-01-19 CN disclosed
WO-2022269508-A1 PYRAZOLYL DERIVATIVES AS INHIBITORS OF THE KRAS MUTANT PROTEIN NOVARTIS AG (CH) 2022-12-29 WO 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 SIGMAR1 4411/4885POLB 2501/4885BCHE 4631/4885

“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.