SCHEMBL21843685

SCHEMBL21843685

CN1CCN(Cc2ccc(NC(=O)c3cncc(C#Cc4nnn5ccccc45)c3)cc2C(F)(F)F)CC1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RET P07949 5/20 0.68
FGFR1 P11362 13/20 0.68
KDR P35968 13/20 0.68
KIF5B P33176 1/20 0.63
CCDC6 Q16204 1/20 0.63
ABL1 P00519 4/20 0.58
KIT P10721 1/20 0.57
CSF1R P07333 1/20 0.54
PDGFRB P09619 1/20 0.54
SRC P12931 1/20 0.54
PDGFRA P16234 1/20 0.54
FLT1 P17948 1/20 0.54
FGFR2 P21802 1/20 0.54
FGFR4 P22455 1/20 0.54
FGFR3 P22607 1/20 0.54

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
SCHEMBL24283204 0.88 FGFR1 (0.73) RETFGFR1KDRKIF5BCCDC6
SCHEMBL21843601 0.84 RET (0.70) RETFGFR1KDRKIF5BCCDC6
SCHEMBL21843582 0.84 FGFR1 (0.74) RETFGFR1KDRKIF5BCCDC6
SCHEMBL21843575 0.82 ABL1 (0.76) RETFGFR1KDRKIF5BCCDC6
SCHEMBL31474783 0.82 ABL1 (0.76) RETFGFR1KDRKIF5BCCDC6
SCHEMBL31036576 0.81 RET (1.00) RETFGFR1KDRKIF5BCCDC6
SCHEMBL23599734 0.81 FGFR1 (1.00) RETFGFR1KDRKIF5BCCDC6
SCHEMBL21843661 0.81 RET (0.72) RETFGFR1KDRKIF5BCCDC6
SCHEMBL24098536 0.81 RET (0.76) RETFGFR1KDRKIF5BCCDC6
SCHEMBL30407634 0.81 RET (0.76) RETFGFR1KDRKIF5BCCDC6

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-20220089599-A1 ALKYNYL NICOTINAMIDE COMPOUNDS AS KINASE INHIBITORS PURDUE RESEARCH FOUNDATION 2022-03-24 US disclosed
WO-2020053812-A1 ALKYNYL NICOTINAMIDE COMPOUNDS AS KINASE INHIBITORS PURDUE RESEARCH FOUNDATION (US) 2020-03-19 WO 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-20220089599-A1 ALKYNYL NICOTINAMIDE COMPOUNDS AS KINASE INHIBITORS NADK, NAMPT, NME2 RET 183/4885FGFR1 320/4885KDR 987/4885

“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.