SCHEMBL24974007

SCHEMBL24974007

CCCCCCCCc1cc(C(F)(F)F)ncn1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.42
CHKA P35790 1/20 0.42
KCNH2 Q12809 2/20 0.41
GABRA2 P47869 3/20 0.40
GABRB2 P47870 3/20 0.40
PTGS2 P35354 2/20 0.33
FAAH O00519 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
PPARA Q07869 1/20 0.33
DNM2 P50570 2/20 0.32
KDR P35968 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
SCHEMBL21503637 0.98 CA2 (0.43) CA2CHKAKCNH2GABRA2GABRB2
SCHEMBL24973136 0.86 CA2 (0.47) CA2CHKAGABRA2GABRB2MAPT
SCHEMBL1685607 0.82 KCNH2 (0.52) KCNH2PTGS2ALDH1A1MAPTPPARA
SCHEMBL2495475 0.80 KCNH2 (0.48) KCNH2GABRA2GABRB2PTGS2ALDH1A1
SCHEMBL24798597 0.75 KCNH2 (0.46) KCNH2PTGS2ALDH1A1MAPTPPARA
SCHEMBL21503708 0.75 KCNH2 (0.42) KCNH2GABRA2GABRB2FAAHALDH1A1
SCHEMBL19619562 0.75 KCNH2 (0.42) KCNH2GABRA2GABRB2FAAHALDH1A1
SCHEMBL17495322 0.72 KCNH2 (0.39) KCNH2GABRA2GABRB2FAAHALDH1A1
SCHEMBL21503698 0.72 GABRA2 (0.45) KCNH2GABRA2GABRB2ALDH1A1
SCHEMBL22166092 0.72 LOXL2 (0.56) PTGS2FAAHALDH1A1

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 CA2 4030/4885CHKA 1613/4885KCNH2 4273/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP CA2 4030/4885CHKA 1613/4885KCNH2 4273/4885

“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.