SCHEMBL2749337

SCHEMBL2749337

CNC(=O)CCn1cc(-c2cnc(N)c(-c3nc4ccccc4s3)c2)cn1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.47
MET P08581 5/20 0.47
PDK2 Q15119 2/20 0.43
MAPT P10636 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 2/20 0.42
IKBKE Q14164 4/20 0.40
TBK1 Q9UHD2 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TP53 P04637 1/20 0.39

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
SCHEMBL2750077 0.92 BTK (0.46) BTKMETPDK2MAPTMEN1
SCHEMBL2748462 0.89 MET (0.50) BTKMETPDK2MAPTMEN1
SCHEMBL2748423 0.89 MET (0.50) BTKMETPDK2MAPTMEN1
SCHEMBL2750045 0.89 MET (0.49) BTKMETPDK2MAPTMEN1
SCHEMBL2749325 0.88 MAPK1 (0.47) BTKMETMAPTMEN1KMT2A
SCHEMBL2749608 0.88 MET (0.47) METPDK2MAPTMEN1KMT2A
SCHEMBL2751069 0.86 MET (0.44) METMAPTNPC1RAB9AMAPK1
SCHEMBL2749424 0.85 MET (0.49) METPDK2MAPTMEN1KMT2A
SCHEMBL2749147 0.84 MET (0.46) BTKMETPDK2MAPTMEN1
SCHEMBL2749226 0.84 CCNC (0.47) METPDK2MAPK1

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-8178668-B2 2-aminopyridine kinase inhibitors OSI Pharmaceuticals, LLC (US) 2012-05-15 US disclosed
US-20090197862-A1 2-AMINOPYRIDINE KINASE INHIBITORS OSI PHARMACEUTICALS, INC. 2009-08-06 US 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-20090197862-A1 2-AMINOPYRIDINE KINASE INHIBITORS ERBB2, ABL2, TIE1 BTK 316/4885MET 38/4885PDK2 657/4885

“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.