SCHEMBL21843525

SCHEMBL21843525

Cc1cn2c(C#Cc3cncc(C(=O)Nc4ccc(CN5CCN(C)CC5)c(C(F)(F)F)c4)c3)cnc2cn1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 3/20 0.70
▸ ABL1 P00519 10/20 0.64
▸ FGFR1 P11362 7/20 0.64
▸ KDR P35968 7/20 0.64
▸ ABL2 P42684 1/20 0.62
▸ MAPK14 Q16539 1/20 0.62
▸ KIF5B P33176 1/20 0.61
▸ CCDC6 Q16204 1/20 0.61
▸ KIT P10721 1/20 0.57

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
SCHEMBL21843616 0.90 RET (0.70) RETABL1FGFR1KDRABL2
SCHEMBL21843620 0.89 ABL1 (0.78) RETABL1FGFR1KDRABL2
SCHEMBL31474781 0.89 ABL1 (0.78) RETABL1FGFR1KDRABL2
SCHEMBL21843651 0.89 RET (0.72) RETABL1FGFR1KDRABL2
SCHEMBL31474783 0.88 ABL1 (0.76) RETABL1FGFR1KDRABL2
SCHEMBL21843575 0.88 ABL1 (0.76) RETABL1FGFR1KDRABL2
SCHEMBL21843618 0.87 RET (0.70) RETABL1FGFR1KDRABL2
SCHEMBL24283328 0.87 ABL1 (0.79) RETABL1FGFR1KDRABL2
SCHEMBL21843523 0.87 RET (0.72) RETABL1FGFR1KDRABL2
SCHEMBL31474786 0.87 ABL1 (0.79) RETABL1FGFR1KDRABL2

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 183/4885ABL1 22/4885FGFR1 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.

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