SCHEMBL21843541

SCHEMBL21843541

CC(C)n1nc(C#Cc2cncc(C(=O)Nc3ccc(CN4CCN(C)CC4)c(C(F)(F)F)c3)c2)c2cncnc21

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 3/20 0.71
▸ SRC P12931 7/20 0.69
▸ FGFR1 P11362 6/20 0.65
▸ KDR P35968 6/20 0.65
▸ KIF5B P33176 1/20 0.61
▸ CCDC6 Q16204 1/20 0.61
▸ ABL1 P00519 3/20 0.60
▸ KIT P10721 1/20 0.56

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
SCHEMBL21843544 0.94 RET (0.74) RETSRCFGFR1KDRKIF5B
SCHEMBL24283505 0.90 RET (0.68) RETSRCFGFR1KDRKIF5B
SCHEMBL21843542 0.89 SRC (0.85) RETSRCFGFR1KDRKIF5B
SCHEMBL21843545 0.87 RET (0.76) RETSRCFGFR1KDRKIF5B
SCHEMBL21843602 0.85 RET (0.70) RETSRCFGFR1KDRKIF5B
SCHEMBL21843606 0.84 SRC (0.76) RETSRCFGFR1KDRKIF5B
SCHEMBL31036576 0.83 RET (1.00) RETFGFR1KDRKIF5BCCDC6
SCHEMBL17935969 0.81 SRC (1.00) SRCFGFR1KDRABL1
SCHEMBL24283334 0.81 RET (0.69) RETFGFR1KDRKIF5BCCDC6
SCHEMBL21843509 0.81 RET (0.73) 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 183/4885SRC 271/4885FGFR1 320/4885

“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.

Send feedback