SCHEMBL3245349

SCHEMBL3245349

COc1ccc(C#Cc2cnc(N)nc2Nc2ccc(O)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.50
AURKA O14965 5/20 0.49
MAPT P10636 5/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
MAPK1 P28482 3/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
BRAF P15056 1/20 0.41
LMNA P02545 2/20 0.41
NR4A1 P22736 1/20 0.40
SYK P43405 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40

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
Hydrochloric Acid SCHEMBL3254112 0.99 APP (0.49) APPAURKAMAPTKMT2AMEN1
SCHEMBL3251095 0.85 AURKA (0.45) APPAURKAMAPTKMT2AMEN1
SCHEMBL3247269 0.84 BCL6 (0.48) APPAURKAMAPTKMT2AMEN1
SCHEMBL6480285 0.79 AURKA (0.53) AURKAMAPTKMT2AMEN1MAPK1
SCHEMBL3252781 0.75 BRAF (0.47) MAPTGAABRAFTP53EGFR
SCHEMBL15014229 0.71 APP (1.00) APPGAA
SCHEMBL15014186 0.71 APP (1.00) APPGAA
SCHEMBL3250337 0.70 ALDH1A1 (0.43) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL6481407 0.69 AURKA (0.47) AURKAMAPTKMT2AMEN1NPC1
SCHEMBL3254425 0.69 LDHA (0.40) APPEGFR

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 8 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

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 APP 7/4885AURKA 3580/4885MAPT 95/4885

“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.