SCHEMBL3247130

SCHEMBL3247130

Clc1ccc(C#Cc2cncnc2Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADK P55263 4/20 0.39
GRM5 P41594 3/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.37
MCHR1 Q99705 1/20 0.36
PLAU P00749 1/20 0.36
PLAT P00750 1/20 0.36
KCNH2 Q12809 1/20 0.36
CYP19A1 P11511 2/20 0.35
FFAR1 O14842 1/20 0.35

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
SCHEMBL3251978 0.86 GRM5 (0.55) ADKGRM5PLAUPLATFFAR1
SCHEMBL3248084 0.73 EGFR (0.47)
Hydrochloric Acid SCHEMBL3252884 0.72 EGFR (0.46)
SCHEMBL3244831 0.71 PIK3CA (0.46) ADK
SCHEMBL20015814 0.71 LMNA (0.57) ADKGRM5PTGDR2KCNH2
SCHEMBL719360 0.71 LMNA (0.57) ADKGRM5PTGDR2KCNH2
SCHEMBL3244787 0.70 TP53 (0.38)
SCHEMBL3244784 0.70 TP53 (0.38)
SCHEMBL3254416 0.69 PTGDR2 (0.34) GRM5PTGDR2FFAR1
SCHEMBL2510512 0.69

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 ADK 873/4885GRM5 185/4885PTGDR2 1431/4885

“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.