SCHEMBL3247269

SCHEMBL3247269

Nc1ncc(C#Cc2ccccc2)c(Nc2ccc(O)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 2/20 0.48
AURKA O14965 5/20 0.47
GAA P10253 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
GRM4 Q14833 1/20 0.40
PIM1 P11309 1/20 0.39
SYK P43405 2/20 0.39
ABCG2 Q9UNQ0 3/20 0.39
APP P05067 1/20 0.38
DHFR P00374 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
SCHEMBL3251095 0.88 AURKA (0.45) BCL6AURKAGAAMEN1KMT2A
SCHEMBL3245349 0.84 APP (0.50) AURKAGAAMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL3254112 0.83 APP (0.49) AURKAGAAMEN1KMT2AALDH1A1
SCHEMBL3253485 0.79 EGFR (0.53) AURKAGAAMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL3253518 0.78 EGFR (0.52) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL7006376 0.78 MERTK (0.38) BCL6GAAMAPTPOLBADORA1
SCHEMBL3251723 0.75 KDM4E (0.45) BCL6GAAMEN1KMT2AALDH1A1
SCHEMBL3251731 0.75 AURKA (0.45) BCL6AURKAGAAMEN1KMT2A
SCHEMBL6642666 0.74 PIN1 (0.51) BCL6AURKAMEN1KMT2AMAPT
SCHEMBL6474471 0.73 BCL6 (0.49) BCL6AURKAGAAMEN1KMT2A

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 11 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-0989460-B1 PATTERN FORMING METHOD AZ ELECTRONIC MATERIALS USA (US) 2010-05-26 EP disclosed
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
US-6527966-B1 Forming a pattern composed of an etchable layer by conducting dry etching of an etchable layer formed on a substrate for semiconductor through a mask of patterned radiation sensitive material coating formed on the etchable layer CLARIANT FINANCE (BVI) LIMITED (VG) 2003-03-04 US disclosed
EP-0989460-A1 PATTERN FORMING METHOD Clariant Finance (BVI) Limited (VG) 2000-03-29 EP 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 BCL6 3385/4885AURKA 3580/4885GAA 2307/4885

“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.