SCHEMBL2177165

SCHEMBL2177165

COc1ccc(Nc2ccnc(NCCO)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.52
▸ GBA1 P04062 1/20 0.48
▸ MEN1 O00255 5/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ MAPT P10636 5/20 0.48
▸ GAA P10253 4/20 0.48
▸ L3MBTL1 Q9Y468 4/20 0.48
▸ MAPK1 P28482 3/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ THRB P10828 2/20 0.48
▸ APAF1 O14727 1/20 0.48
▸ TDP2 O95551 1/20 0.48
▸ CASP6 P55212 1/20 0.48
▸ TP53 P04637 1/20 0.46
▸ RAB9A P51151 6/20 0.46
▸ NPC1 O15118 5/20 0.46
▸ RECQL P46063 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ LMNA P02545 1/20 0.46

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
SCHEMBL2174904 0.84 HTR7 (0.46) ALDH1A1KMT2AGAARECQLLMNA
SCHEMBL13977412 0.83 EGFR (0.44) ALDH1A1MAPTGAAMAPK1THRB
SCHEMBL2175110 0.82 MEN1 (0.72) ALDH1A1GBA1MEN1KMT2AMAPT
SCHEMBL6092097 0.81 ROCK2 (0.51) ALDH1A1L3MBTL1ROCK2ROCK1MAPK10
Cardiogenol C SCHEMBL29766906 0.80 ALDH1A1 (0.70) ALDH1A1GBA1MEN1KMT2AMAPT
Cardiogenol C SCHEMBL8286309 0.80 ALDH1A1 (0.70) ALDH1A1GBA1MEN1KMT2AMAPT
Cardiogenol C SCHEMBL30628562 0.79 ALDH1A1 (0.68) ALDH1A1GBA1MEN1KMT2AMAPT
SCHEMBL2190249 0.78 HTR7 (0.42) KMT2AGAAP2RX3
SCHEMBL2175149 0.75 ALDH1A1 (0.58) ALDH1A1GBA1MEN1KMT2AMAPT
SCHEMBL2174775 0.75 MEN1 (0.68) MEN1KMT2ARAB9ANPC1EGFR

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 14 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
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 ALDH1A1 63/4885GBA1 4526/4885MEN1 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.

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