SCHEMBL2174012

SCHEMBL2174012

Clc1cc(Nc2ccc(Oc3ccccc3)cc2)ncn1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.61
NPC1 O15118 3/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
RAB9A P51151 2/20 0.57
KDR P35968 1/20 0.50
TEK Q02763 1/20 0.50
SCN5A Q14524 2/20 0.49
KCNH2 Q12809 1/20 0.49
TTBK1 Q5TCY1 2/20 0.47
TTBK2 Q6IQ55 1/20 0.47
EGFR P00533 5/20 0.47
ERBB3 P21860 4/20 0.47
RIPK2 O43353 1/20 0.46
EPHB2 P29323 1/20 0.46
CDK4 P11802 1/20 0.44

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
SCHEMBL690494 0.88 EGFR (0.56) SCN9ANPC1MEN1KMT2ARAB9A
SCHEMBL12487147 0.85 NPC1 (0.64) SCN9ANPC1MEN1KMT2ARAB9A
SCHEMBL857502 0.85 NPC1 (0.63) NPC1MEN1KMT2ARAB9AEGFR
Hydrochloric Acid SCHEMBL2176643 0.84 NPC1 (0.61) NPC1MEN1KMT2ARAB9AEGFR
SCHEMBL30046349 0.83 SCN9A (0.76) SCN9ANPC1MEN1KMT2ARAB9A
SCHEMBL3487003 0.82 MEN1 (0.61) SCN9ANPC1MEN1KMT2ARAB9A
SCHEMBL856014 0.81 MEN1 (0.78) SCN9ANPC1MEN1KMT2ARAB9A
SCHEMBL3487000 0.81 MEN1 (0.64) SCN9ANPC1MEN1KMT2ARAB9A
SCHEMBL2283204 0.79 NPC1 (0.68) SCN9ANPC1MEN1KMT2AKDR
SCHEMBL2179743 0.78 MEN1 (0.61) SCN9ANPC1MEN1KMT2ARAB9A

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 856/4885NPC1 4262/4885MEN1 4740/4885

“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.