SCHEMBL24974008

SCHEMBL24974008

CCCCCC(CCCC)C(=O)Nc1ccc(C(F)(F)F)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA7 P43166 2/20 0.50
CA14 Q9ULX7 2/20 0.50
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
EPHX2 P34913 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
USP30 Q70CQ3 2/20 0.41
HDAC8 Q9BY41 4/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC3 O15379 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC4 P56524 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
SCHEMBL21503711 0.86 CA1 (0.51) CA1CA2CA7CA14SMN1; SMN2
SCHEMBL24974005 0.78 EPHX2 (0.59) CA1CA2CA7CA14SMN1; SMN2
SCHEMBL21503709 0.77 MLYCD (0.53) CA1CA2SMN1; SMN2MEN1ALDH1A1
SCHEMBL18896147 0.76 MEN1 (0.61) CA1CA2CA7CA14SMN1; SMN2
SCHEMBL18882713 0.74 MEN1 (0.72) CA1CA2CA7CA14SMN1; SMN2
SCHEMBL20097426 0.74 ATM (0.53) CA1CA2SMN1; SMN2MAPTMAPK1
SCHEMBL19198292 0.72 SMN1; SMN2 (0.64) CA1CA2CA7CA14SMN1; SMN2
SCHEMBL23430657 0.72 MAPT (0.56) CA1CA2CA7CA14SMN1; SMN2
SCHEMBL2225852 0.71 TRPV1 (0.49) EPHX2USP30HDAC4HDAC11
SCHEMBL24974096 0.70 MAPT (0.50) CA1CA2ALDH1A1MAPTKMT2A

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 CA1 4651/4885CA2 4030/4885CA7 2849/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP CA1 4651/4885CA2 4030/4885CA7 2849/4885

“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.