SCHEMBL21491844

SCHEMBL21491844

NC1CCC(Oc2ccc(C(F)(F)F)nc2)C1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
BCL2A1 Q16548 4/20 0.40
ROCK1 Q13464 1/20 0.40
SCN9A Q15858 2/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
AXL P30530 1/20 0.39
TYRO3 Q06418 1/20 0.39
MERTK Q12866 1/20 0.39
TRPV4 Q9HBA0 1/20 0.38
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.34

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
SCHEMBL21491842 1.00 LIPE (0.43) LIPECHRNB2CHRNA4BCL2A1ROCK1
SCHEMBL21503589 1.00 LIPE (0.43) LIPECHRNB2CHRNA4BCL2A1ROCK1
SCHEMBL23207693 0.91 LIPE (0.47) LIPECHRNB2CHRNA4SCN9ASCN10A
SCHEMBL23207692 0.91 LIPE (0.47) LIPECHRNB2CHRNA4SCN9ASCN10A
Hydrochloric Acid SCHEMBL23168140 0.90 LIPE (0.46) LIPECHRNB2CHRNA4SCN9ASCN10A
Hydrochloric Acid SCHEMBL23168136 0.90 LIPE (0.46) LIPECHRNB2CHRNA4SCN9ASCN10A
SCHEMBL26933208 0.90 CHRNB2 (0.45) LIPECHRNB2CHRNA4SCN9ASCN10A
SCHEMBL23207725 0.90 CHRNB2 (0.45) LIPECHRNB2CHRNA4SCN9ASCN10A
SCHEMBL21503695 0.90 CHRNB2 (0.45) LIPECHRNB2CHRNA4SCN9ASCN10A
Hydrochloric Acid SCHEMBL23167958 0.88 CHRNB2 (0.47) LIPECHRNB2CHRNA4SCN9ASCN10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12384790-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-08-12 US disclosed
EP-3784669-B1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMA (US) 2023-10-25 EP disclosed
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
US-11059826-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-07-13 US disclosed
EP-3784669-A1 PTERIDINONE COMPOUNDS AND USES THEREOF Vertex Pharmaceuticals Incorporated (US) 2021-03-03 EP disclosed
US-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2019-10-24 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 (5 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 LIPE 4835/4885CHRNB2 4666/4885CHRNA4 4806/4885
US-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP LIPE 4835/4885CHRNB2 4666/4885CHRNA4 4806/4885
US-11059826-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP LIPE 4835/4885CHRNB2 4666/4885CHRNA4 4806/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP LIPE 4835/4885CHRNB2 4666/4885CHRNA4 4806/4885
US-12384790-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP LIPE 4835/4885CHRNB2 4666/4885CHRNA4 4806/4885

“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.