SCHEMBL14320537

SCHEMBL14320537

COc1cc(N)cc(-n2nccn2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
CYP3A4 P08684 2/20 0.42
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
MAPK1 P28482 1/20 0.39
CYP19A1 P11511 2/20 0.37
NQO2 P16083 1/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NPC1 O15118 2/20 0.36
HTR6 P50406 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36

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
SCHEMBL14955519 0.80 ADORA2A (0.32)
SCHEMBL30880520 0.76 KAT6A (0.46) ALDH1A1CYP3A4MAPK1NPC1RAB9A
SCHEMBL2627307 0.75 ALDH1A1 (0.50) ALDH1A1NOS3NOS1NOS2LMNA
SCHEMBL24921498 0.74 HTT (0.57) ALDH1A1LMNAMEN1KMT2ANPC1
SCHEMBL17146029 0.73 NOTUM (0.54) ALDH1A1CYP3A4LMNAKMT2ANPC1
SCHEMBL30954866 0.73 NOTUM (0.54) ALDH1A1CYP3A4LMNAKMT2ANPC1
SCHEMBL30880594 0.73 CYP11B1 (0.59) CYP3A4TDP1MAPK1CYP19A1LMNA
SCHEMBL30038775 0.73 CYP1A2 (0.44) ALDH1A1CYP3A4CYP19A1KMT2ASMN1; SMN2
SCHEMBL2356727 0.73 CYP1A2 (0.44) ALDH1A1CYP3A4CYP19A1KMT2ASMN1; SMN2
SCHEMBL30880480 0.73 CYP11B1 (0.59) CYP3A4TDP1MAPK1CYP19A1LMNA

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
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 US disclosed
US-9802937-B2 Substituted pyrazolo{4,3-D}pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-10-31 US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US disclosed
US-9499535-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2016-11-22 US disclosed
EP-2699572-B1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2016-08-10 EP disclosed
EP-2699579-B1 PYRAZOLO[4,3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-10-07 EP disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 US disclosed
US-20150259340-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-17 US disclosed
WO-2014060113-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
WO-2014060112-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
US-20120329785-A1 Novel kinase inhibitors ORIGENIS GMBH (DE) 2012-12-27 US disclosed
US-20120329780-A1 Novel kinase inhibitors ORIGENIS GMBH (DE) 2012-12-27 US 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 (7 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-20150259340-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK ALDH1A1 4333/4885CYP3A4 4198/4885NOS3 1955/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK ALDH1A1 3674/4885CYP3A4 3280/4885NOS3 1854/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK ALDH1A1 4333/4885CYP3A4 4198/4885NOS3 1955/4885
US-20120329780-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK ALDH1A1 4333/4885CYP3A4 4198/4885NOS3 1955/4885
US-20120329785-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK3 ALDH1A1 4394/4885CYP3A4 4807/4885NOS3 2595/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK ALDH1A1 4184/4885CYP3A4 4148/4885NOS3 1832/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK ALDH1A1 4184/4885CYP3A4 4148/4885NOS3 1832/4885

“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.