SCHEMBL24973095

SCHEMBL24973095

CCCC(C)Cc1ccc(C)nc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.34
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
PLA2G7 Q13093 2/20 0.32
CPB2 Q96IY4 1/20 0.32
ELANE P08246 1/20 0.32
GRM2 Q14416 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRA5 P31644 1/20 0.31

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
SCHEMBL15121087 0.85 KMT2A (0.43) KMT2AMEN1LMNATSHRSMN1; SMN2
SCHEMBL4604350 0.84 MEN1 (0.40) KMT2AMEN1LMNATSHRSMN1; SMN2
SCHEMBL18924321 0.81 CPB2 (0.50) CPB2GABRA1GABRA5
SCHEMBL19822092 0.81 ALDH1A1 (0.41) LMNASMN1; SMN2GAAMAPT
SCHEMBL24974211 0.81 CYP11B1 (0.37) CPB2ESR1ESR2
SCHEMBL24105600 0.79 HRH3 (0.39) KMT2AMEN1LMNATSHRSMN1; SMN2
SCHEMBL24308241 0.79 PPARG (0.36) KMT2AMEN1LMNATSHRSMN1; SMN2
SCHEMBL2757254 0.79 LMNA (0.46) KMT2AMEN1LMNATSHRSMN1; SMN2
SCHEMBL18924320 0.78 KCNH2 (0.34) PPARGPPARA
SCHEMBL24973796 0.77 TRPV4 (0.41)

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-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 US disclosed
US-11572364-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-02-07 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-11572364-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP KMT2A 909/4885MEN1 154/4885LMNA 753/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP KMT2A 909/4885MEN1 154/4885LMNA 753/4885

“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.