SCHEMBL24973136

SCHEMBL24973136

CCCc1cc(C(F)(F)F)ncn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.47
CHKA P35790 1/20 0.47
CYP2D6 P10635 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
CTSK P43235 8/20 0.35
CTSS P25774 7/20 0.35
MAPT P10636 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
LOXL2 Q9Y4K0 2/20 0.34
LOX P28300 1/20 0.33

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 0.87 CA2 (0.43) CA2CHKACYP3A4MAPTGABRA2
SCHEMBL24974007 0.86 CA2 (0.42) CA2CHKAMAPTGABRA2GABRB2
SCHEMBL11943357 0.84 CA2 (0.50) CA2CHKACYP2D6PSEN1PSEN2
SCHEMBL12539197 0.79 KDM4E (0.44) KDM4ELMNACYP3A4TSHRMAPT
SCHEMBL17541019 0.76 CA2 (0.50) CA2CHKALOXL2LOX
SCHEMBL22111962 0.76 CA2 (0.55) CA2CHKALOXL2LOX
SCHEMBL27264896 0.73 CA2 (0.68) CA2CHKACYP2D6CYP3A4TSHR
SCHEMBL24152409 0.72 CA2 (0.46) CA2CHKAMAPTLOXL2LOX
SCHEMBL17168945 0.71 NOS2 (0.39) KDM4ELMNACYP3A4TSHRMAPT
SCHEMBL20007620 0.71 KDM4E (0.39) KDM4ELMNACYP3A4TSHRNOS3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-11572364-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP CA2 4030/4885CHKA 1613/4885CYP2D6 1271/4885

“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.