SCHEMBL2178398

SCHEMBL2178398

COc1ccc(-c2nc(N)cc(N)n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.61
CYP1A1 P04798 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP1B1 Q16678 1/20 0.53
CLK4 Q9HAZ1 1/20 0.52
KDM4E B2RXH2 3/20 0.50
MAPT P10636 3/20 0.50
TP53 P04637 1/20 0.50
DPP4 P27487 1/20 0.49
NPC1 O15118 2/20 0.49
ALDH1A1 P00352 2/20 0.49
RAB9A P51151 2/20 0.49
MEN1 O00255 1/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 1/20 0.49
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
APP P05067 1/20 0.47
ADORA3 P0DMS8 2/20 0.47
ADORA2A P29274 1/20 0.47

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
SCHEMBL26059423 0.91 DYRK1A (0.75) DYRK1ACYP1A1CYP1A2CYP1B1KDM4E
SCHEMBL9013358 0.89 DYRK1A (0.54) DYRK1ACYP1A1CYP1A2CYP1B1CLK4
SCHEMBL2177144 0.85 DYRK1A (0.50) DYRK1ACYP1A1CYP1A2CYP1B1CLK4
SCHEMBL338452 0.83 CLK4 (0.64) CYP1A1CYP1A2CYP1B1CLK4KDM4E
SCHEMBL3418789 0.82 DYRK1A (0.58) DYRK1ACYP1A1CYP1A2CYP1B1CLK4
SCHEMBL669785 0.82 DYRK1A (0.58) DYRK1ACYP1A1CYP1A2CYP1B1CLK4
SCHEMBL7708814 0.82 DYRK1A (0.65) DYRK1AKDM4EMAPTTP53NPC1
SCHEMBL2876553 0.81 CLK4 (0.61) CYP1A1CYP1A2CYP1B1CLK4KDM4E
SCHEMBL15896952 0.81 CLK4 (0.61) CYP1A1CYP1A2CYP1B1CLK4KDM4E
SCHEMBL6978351 0.80 DYRK1A (0.56) DYRK1ACYP1A1CYP1A2CYP1B1CLK4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011079343-A2 SUBSTITUTED PYRIDINES AND PYRIMIDINES TECHNISCHE UNIVERSITAET WIEN (AT) 2011-07-07 WO claimed
US-20220064150-A1 SUBSTITUTED REVERSE PYRIMIDINE BMI-1 INHIBITORS PTC THERAPEUTICS INC (US) 2022-03-03 US disclosed
CN-110325516-A HETEROARYL COMPOUNDS AND THEIR USE 米尼奥尔克斯治疗有限公司 2019-10-11 CN disclosed
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-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

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-20220064150-A1 SUBSTITUTED REVERSE PYRIMIDINE BMI-1 INHIBITORS BMI1, BRPF3, BAZ2A DYRK1A 3892/4885CYP1A1 3516/4885CYP1A2 4501/4885

“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.