SCHEMBL14320997

SCHEMBL14320997

Nc1cccc(-c2cccc3c2OCO3)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 2/20 0.47
CHEK1 O14757 1/20 0.47
MAP4K4 O95819 2/20 0.44
CYP19A1 P11511 1/20 0.43
MAOA P21397 1/20 0.41
DHODH Q02127 1/20 0.39
FYN P06241 1/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP1B1 Q16678 1/20 0.38
MAPK14 Q16539 1/20 0.37
RIPK3 Q9Y572 1/20 0.37
CNR1 P21554 2/20 0.37
PRF1 P14222 1/20 0.37
MECP2 P51608 1/20 0.37

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
SCHEMBL11390274 0.80 ABCG2 (0.50) CHEK2CHEK1DHODHPKMTSHR
SCHEMBL8309663 0.80 CHEK1 (0.41) CHEK2CHEK1DHODHPKMTSHR
SCHEMBL7594061 0.78 ABCG2 (0.55) CHEK2CHEK1DHODHPKMTSHR
Hydrochloric Acid SCHEMBL6574543 0.78 CHEK1 (0.40) CHEK2CHEK1CYP19A1DHODHPKM
SCHEMBL962586 0.78 CHEK1 (0.40) CHEK2CHEK1DHODHPKMTSHR
SCHEMBL980270 0.74 CYP19A1 (0.58) CYP19A1MAOAFYNPKMMAPT
SCHEMBL30469371 0.74 CYP19A1 (0.58) CYP19A1MAOAFYNPKMMAPT
SCHEMBL8307307 0.72 CHEK2 (0.46) CHEK2CHEK1DHODHPKMTSHR
SCHEMBL4347210 0.72 RIPK3 (0.56) CHEK2CHEK1DHODHPKMTSHR
SCHEMBL2023695 0.71 MAOA (0.68) MAP4K4MAOAMAPTMECP2

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 CHEK2 136/4885CHEK1 346/4885MAP4K4 186/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK CHEK2 72/4885CHEK1 189/4885MAP4K4 191/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK CHEK2 136/4885CHEK1 346/4885MAP4K4 186/4885
US-20120329780-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK CHEK2 136/4885CHEK1 346/4885MAP4K4 186/4885
US-20120329785-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK3 CHEK2 135/4885CHEK1 308/4885MAP4K4 263/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK CHEK2 148/4885CHEK1 324/4885MAP4K4 169/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK CHEK2 148/4885CHEK1 324/4885MAP4K4 169/4885

“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.