SCHEMBL3248034

SCHEMBL3248034

O=CNc1ncc(C#Cc2ccc(Cl)cc2)c(N[C@H]2CC[C@H](O)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 9/20 0.41
MERTK Q12866 9/20 0.41
FLT3 P36888 9/20 0.41
GAS6 Q14393 8/20 0.41
MAPK3 P27361 2/20 0.39
MAPK8 P45983 3/20 0.39
SYK P43405 2/20 0.39
AXL P30530 2/20 0.37
MAPK9 P45984 2/20 0.37
ADORA1 P30542 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
KIT P10721 1/20 0.36

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
SCHEMBL722277 0.82 CHUK (0.42) TYRO3MERTKFLT3GAS6MAPK8
SCHEMBL3253565 0.82 CHUK (0.42) TYRO3MERTKFLT3GAS6MAPK8
SCHEMBL3250942 0.82 CHUK (0.42) TYRO3MERTKFLT3GAS6MAPK8
SCHEMBL3254416 0.79 PTGDR2 (0.34)
SCHEMBL3244787 0.77 TP53 (0.38) TYRO3MERTKFLT3GAS6ADORA1
SCHEMBL3244784 0.77 TP53 (0.38) TYRO3MERTKFLT3GAS6ADORA1
SCHEMBL3254180 0.74 MERTK (0.34) TYRO3MERTKFLT3GAS6MAPK3
SCHEMBL3254176 0.74 MERTK (0.34) TYRO3MERTKFLT3GAS6MAPK3
SCHEMBL3254181 0.74 MERTK (0.34) TYRO3MERTKFLT3GAS6MAPK3
SCHEMBL3245433 0.74 ACACB (0.41) TYRO3MERTKFLT3GAS6MAPK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1303495-B1 SUBSTITUTED 5-ALKYNYL PYRIMIDINES HAVING NEUROTROPHIC ACTIVITY KRENITSKY PHARMACEUTICALS INC (US) 2010-05-26 EP claimed
US-7205297-B2 Substituted 5-alkynyl pyrimidines having neurotrophic activity KRENITSKY PHARMACEUTICALS, INC. (US) 2007-04-17 US claimed
US-20040087789-A1 Substituted 5-alkynyl pyrimidines having neurotrophic activity MIDCAP FUNDING III, LLC 2004-05-06 US claimed
EP-1303495-A1 SUBSTITUTED 5-ALKYNYL PYRIMIDINES HAVING NEUROTROPHIC ACTIVITY Krenitsky Pharmaceuticals, Inc. (US) 2003-04-23 EP claimed
WO-2002008205-A1 SUBSTITUTED 5-ALKYNYL PYRIMIDINES HAVING NEUROTROPHIC ACTIVITY KRENITSKY PHARMACEUTICALS, INC. (US) 2002-01-31 WO claimed
EP-1303495-B1 SUBSTITUTED 5-ALKYNYL PYRIMIDINES HAVING NEUROTROPHIC ACTIVITY KRENITSKY PHARMACEUTICALS INC (US) 2010-05-26 EP disclosed
US-7205297-B2 Substituted 5-alkynyl pyrimidines having neurotrophic activity KRENITSKY PHARMACEUTICALS, INC. (US) 2007-04-17 US disclosed
US-20040087789-A1 Substituted 5-alkynyl pyrimidines having neurotrophic activity MIDCAP FUNDING III, LLC 2004-05-06 US disclosed
EP-1303495-A1 SUBSTITUTED 5-ALKYNYL PYRIMIDINES HAVING NEUROTROPHIC ACTIVITY Krenitsky Pharmaceuticals, Inc. (US) 2003-04-23 EP disclosed
WO-2002008205-A1 SUBSTITUTED 5-ALKYNYL PYRIMIDINES HAVING NEUROTROPHIC ACTIVITY KRENITSKY PHARMACEUTICALS, INC. (US) 2002-01-31 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-20040087789-A1 Substituted 5-alkynyl pyrimidines having neurotrophic activity BDNF, NTRK2, GAP43 TYRO3 1454/4885MERTK 1581/4885FLT3 1729/4885

“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.