SCHEMBL31074698

SCHEMBL31074698

C[Si](C)(C)CCOCn1cc([N+](=O)[O-])c(-c2ccccn2)n1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
F12 P00748 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CTSD P07339 1/20 0.35
GUSB P08236 1/20 0.35
OPRK1 P41145 2/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL31074615 0.82 L3MBTL1 (0.34) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL30725992 0.82 KDM4E (0.38) MAPTNPC1KDM4ESMN1; SMN2
SCHEMBL31074535 0.81 CYP11B1 (0.35) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL31074732 0.81 CYP1A2 (0.35) NPC1F12MEN1KMT2APOLB
SCHEMBL31074755 0.80 CYP11B1 (0.40) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL26964454 0.76 CTSD (0.38) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL30681794 0.76 CTSD (0.38) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL27139104 0.76 ALDH1A1 (0.35) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL31074461 0.76 ALDH1A1 (0.32) ALDH1A1
SCHEMBL31074613 0.76 SMN1; SMN2 (0.34) MEN1KMT2AALDH1A1SMN1; SMN2

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
EP-4665734-A1 CYCLIN-DEPENDENT KINASE (CDK2) INHIBITORS Novartis AG (CH) 2025-12-24 EP disclosed
US-20240360137-A1 CYCLIN-DEPENDENT KINASE (CDK2) INHIBITORS NOVARTIS AG (CH) 2024-10-31 US disclosed
WO-2024171094-A1 CYCLIN-DEPENDENT KINASE (CDK2) INHIBITORS NOVARTIS AG (CH) 2024-08-22 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-20240360137-A1 CYCLIN-DEPENDENT KINASE (CDK2) INHIBITORS CDK2, CDK1, CCNK MAPT 2518/4885NPC1 2825/4885RAB9A 2365/4885

“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.