SCHEMBL3254181

SCHEMBL3254181

CC(C)N(C=Nc1ncc(C#Cc2ccc(Cl)cc2)c(NC2CCC(O)CC2)n1)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 10/20 0.34
TYRO3 Q06418 9/20 0.34
FLT3 P36888 6/20 0.34
GAS6 Q14393 6/20 0.34
ACACB O00763 5/20 0.32
AXL P30530 3/20 0.32
MAPK8 P45983 2/20 0.31
MAPK9 P45984 2/20 0.31
CCNT1 O60563 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
CDK7 P50613 1/20 0.31
CDK9 P50750 1/20 0.31
CCNH P51946 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
MAPK3 P27361 1/20 0.31
MAPK10 P53779 1/20 0.30

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
SCHEMBL3254176 1.00 MERTK (0.34) MERTKTYRO3FLT3GAS6ACACB
SCHEMBL3254180 1.00 MERTK (0.34) MERTKTYRO3FLT3GAS6ACACB
SCHEMBL6888434 0.91 MERTK (0.37) MERTKTYRO3FLT3GAS6AXL
SCHEMBL3253624 0.91 MERTK (0.37) MERTKTYRO3FLT3GAS6AXL
SCHEMBL5202095 0.81 MERTK (0.34) MERTKTYRO3FLT3GAS6AXL
SCHEMBL5202107 0.81 MERTK (0.34) MERTKTYRO3FLT3GAS6AXL
SCHEMBL5202101 0.81 MERTK (0.34) MERTKTYRO3FLT3GAS6AXL
SCHEMBL3251691 0.79 AURKA (0.36)
SCHEMBL5574155 0.79 AURKA (0.36)
SCHEMBL3248475 0.78 KDM4E (0.33)

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 5 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 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 MERTK 1581/4885TYRO3 1454/4885FLT3 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.