SCHEMBL2174129

SCHEMBL2174129

Fc1cc(Nc2ccc(Oc3ccccc3)cc2)ccn1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.51
ERBB2 P04626 1/20 0.51
FGFR2 P21802 2/20 0.45
KDR P35968 2/20 0.44
TEK Q02763 1/20 0.44
SCN5A Q14524 3/20 0.43
KCNH2 Q12809 1/20 0.43
PDE10A Q9Y233 1/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
JAK3 P52333 1/20 0.42
TTBK1 Q5TCY1 1/20 0.42
TTBK2 Q6IQ55 1/20 0.42
RIPK2 O43353 1/20 0.41
EGFR P00533 1/20 0.41
EPHB2 P29323 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK10 P53779 1/20 0.41
KCNH3 Q9ULD8 1/20 0.41

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
SCHEMBL2190249 0.84 HTR7 (0.42) SCN9AERBB2KDRJAK2JAK1
SCHEMBL2173982 0.81 RAB9A (0.57) FGFR2KCNH3
SCHEMBL30046984 0.78 KDR (0.54) SCN9AERBB2KDRTEKSCN5A
SCHEMBL31580872 0.78 BRAF (0.48) SCN9AERBB2KDRMAPK8MAPK10
SCHEMBL17948198 0.77 LTA4H (0.63) SCN9AERBB2KDRTEKSCN5A
SCHEMBL14435643 0.77 LTA4H (0.63) SCN9AERBB2KDRTEKSCN5A
SCHEMBL18657532 0.76 ALDH1A1 (0.67) SCN9AERBB2KDRTEKSCN5A
SCHEMBL5948717 0.76 ERBB2 (0.66) ERBB2FGFR2KDRTEK
SCHEMBL7514685 0.75 ALDH1A1 (0.65) SCN9AERBB2KDRTEKSCN5A
SCHEMBL13977986 0.75 AURKA (0.46) MAPK10KCNH3

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-2519501-B1 SUBSTITUTED PYRIDINES AND PYRIMIDINES FOR THE PRODUCTION OF CARDIOMYOCYTE-LIKE CELLS UNIV WIEN TECH (AT) 2015-04-22 EP disclosed
EP-2519501-B1 SUBSTITUTED PYRIDINES AND PYRIMIDINES FOR THE PRODUCTION OF CARDIOMYOCYTE-LIKE CELLS UNIV WIEN TECH (AT) 2015-04-22 EP disclosed
US-8986994-B2 Substituted pyridines and pyrimidines TECHNISCHE UNIVERSITAET WIEN (AT) 2015-03-24 US disclosed
US-8986994-B2 Substituted pyridines and pyrimidines TECHNISCHE UNIVERSITAET WIEN (AT) 2015-03-24 US disclosed
US-8986994-B2 Substituted pyridines and pyrimidines TECHNISCHE UNIVERSITAET WIEN (AT) 2015-03-24 US disclosed
US-20120294835-A1 SUBSTITUTED PYRIDINES AND PYRIMIDINES MEDIZINISCHE UNIVERSITAET WIEN (AT) 2012-11-22 US disclosed
US-20120294835-A1 SUBSTITUTED PYRIDINES AND PYRIMIDINES MEDIZINISCHE UNIVERSITAET WIEN (AT) 2012-11-22 US disclosed
US-20120294835-A1 SUBSTITUTED PYRIDINES AND PYRIMIDINES MEDIZINISCHE UNIVERSITAET WIEN (AT) 2012-11-22 US disclosed
EP-2519501-A2 SUBSTITUTED PYRIDINES AND PYRIMIDINES FOR THE PRODUCTION OF CARDIOMYOCYTE-LIKE CELLS Technische Universität Wien (AT) 2012-11-07 EP disclosed
WO-2011079343-A2 SUBSTITUTED PYRIDINES AND PYRIMIDINES TECHNISCHE UNIVERSITAET WIEN (AT) 2011-07-07 WO disclosed
WO-2011079343-A2 SUBSTITUTED PYRIDINES AND PYRIMIDINES TECHNISCHE UNIVERSITAET WIEN (AT) 2011-07-07 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-20120294835-A1 SUBSTITUTED PYRIDINES AND PYRIMIDINES TNNI3, TNNT2, PROX1 SCN9A 856/4885ERBB2 3810/4885FGFR2 650/4885

“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.