SCHEMBL2175076

SCHEMBL2175076

COc1cccc(Nc2cc(NCCO)ncn2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.70
MEN1 O00255 5/20 0.67
KMT2A Q03164 5/20 0.67
NPC1 O15118 2/20 0.67
RAB9A P51151 2/20 0.67
ERBB3 P21860 5/20 0.64
TNNI3K Q59H18 1/20 0.57
TUBB4A P04350 1/20 0.57
TUBB P07437 1/20 0.57
TUBA3C P0DPH7 1/20 0.57
TUBA1B P68363 1/20 0.57
TUBA4A P68366 1/20 0.57
TUBB4B P68371 1/20 0.57
TUBB3 Q13509 1/20 0.57
TUBB2A Q13885 1/20 0.57
TUBB8 Q3ZCM7 1/20 0.57
TUBA3E Q6PEY2 1/20 0.57
TUBA1A Q71U36 1/20 0.57
TUBA1C Q9BQE3 1/20 0.57
TUBB6 Q9BUF5 1/20 0.57

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
SCHEMBL2175110 0.85 MEN1 (0.72) EGFRMEN1KMT2ANPC1RAB9A
SCHEMBL2173971 0.81 EGFR (0.72) EGFRMEN1KMT2ANPC1RAB9A
SCHEMBL2174775 0.81 MEN1 (0.68) EGFRMEN1KMT2ANPC1RAB9A
SCHEMBL2174864 0.80 EGFR (0.71) EGFRERBB3TNNI3K
SCHEMBL2174568 0.80 EGFR (0.71) EGFRMEN1KMT2ANPC1MAPT
SCHEMBL2176919 0.80 EGFR (0.71) EGFRNPC1RAB9AERBB3TNNI3K
SCHEMBL9147714 0.79 MTNR1A (0.65) MEN1KMT2ARAB9AGAAGBA1
SCHEMBL2175670 0.78 EGFR (0.68) EGFRMEN1KMT2ANPC1RAB9A
SCHEMBL8798594 0.78 EGFR (0.85) EGFRMEN1KMT2ANPC1RAB9A
SCHEMBL16661576 0.78 EGFR (0.68) EGFRMEN1KMT2ANPC1RAB9A

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 15 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 claimed
US-8986994-B2 Substituted pyridines and pyrimidines TECHNISCHE UNIVERSITAET WIEN (AT) 2015-03-24 US claimed
US-20120294835-A1 SUBSTITUTED PYRIDINES AND PYRIMIDINES MEDIZINISCHE UNIVERSITAET WIEN (AT) 2012-11-22 US claimed
EP-2519501-A2 SUBSTITUTED PYRIDINES AND PYRIMIDINES FOR THE PRODUCTION OF CARDIOMYOCYTE-LIKE CELLS Technische Universität Wien (AT) 2012-11-07 EP claimed
WO-2011079343-A2 SUBSTITUTED PYRIDINES AND PYRIMIDINES TECHNISCHE UNIVERSITAET WIEN (AT) 2011-07-07 WO claimed
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 EGFR 4266/4885MEN1 4740/4885KMT2A 2502/4885

“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.