SCHEMBL20186525

SCHEMBL20186525

O=C(c1ccnc(-c2cnn3ccc(-c4ccccc4)nc23)c1)N1CCC2CNCC21

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.45
CAMKK1 Q8N5S9 1/20 0.45
CAMKK2 Q96RR4 1/20 0.45
CAMK2D Q13557 8/20 0.43
KCNH2 Q12809 2/20 0.40
EGFR P00533 1/20 0.38
JAK1 P23458 4/20 0.37
JAK2 O60674 2/20 0.37
DYRK1A Q13627 1/20 0.36
PCSK9 Q8NBP7 1/20 0.36
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35

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
SCHEMBL20186839 0.94 PIK3CD (0.44) PIK3CDCAMKK1CAMKK2CAMK2DKCNH2
SCHEMBL20225324 0.89 CAMKK1 (0.45) PIK3CDCAMKK1CAMKK2CAMK2DKCNH2
SCHEMBL20225396 0.86 CAMKK1 (0.51) PIK3CDCAMKK1CAMKK2CAMK2DKCNH2
SCHEMBL20225424 0.86 CAMKK1 (0.49) PIK3CDCAMKK1CAMKK2CAMK2DKCNH2
SCHEMBL20186630 0.82 CAMKK1 (0.47) PIK3CDCAMKK1CAMKK2CAMK2DKCNH2
SCHEMBL20186627 0.82 CAMKK1 (0.47) PIK3CDCAMKK1CAMKK2CAMK2DKCNH2
SCHEMBL20186183 0.79 PIK3CD (0.49) PIK3CDCAMKK1CAMKK2CAMK2DKCNH2
SCHEMBL20202124 0.79 PIK3CD (0.49) PIK3CDCAMKK1CAMKK2CAMK2DKCNH2
SCHEMBL20186413 0.79 CAMKK1 (0.46) PIK3CDCAMKK1CAMKK2CAMK2DKCNH2
SCHEMBL20186801 0.79 CAMKK1 (0.46) PIK3CDCAMKK1CAMKK2CAMK2DKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3548495-B1 PYRAZOLOPYRIMIDINE DERIVATIVES AS CAM KINASE INHIBITORS GILEAD SCIENCES INC (US) 2021-01-27 EP claimed
US-10100058-B2 Fused heterocyclic compounds as CaM kinase inhibitors GILEAD SCIENCES, INC. (US) 2018-10-16 US claimed
US-20180148457-A1 FUSED HETEROCYCLIC COMPOUNDS AS CAM KINASE INHIBITORS GILEAD SCIENCES, INC. 2018-05-31 US claimed
EP-3548495-B1 PYRAZOLOPYRIMIDINE DERIVATIVES AS CAM KINASE INHIBITORS GILEAD SCIENCES INC (US) 2021-01-27 EP disclosed
EP-3548495-B1 PYRAZOLOPYRIMIDINE DERIVATIVES AS CAM KINASE INHIBITORS GILEAD SCIENCES INC (US) 2021-01-27 EP disclosed
EP-3548495-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS CAM KINASE INHIBITORS Gilead Sciences, Inc. (US) 2019-10-09 EP disclosed
US-10100058-B2 Fused heterocyclic compounds as CaM kinase inhibitors GILEAD SCIENCES, INC. (US) 2018-10-16 US disclosed
WO-2018102384-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS CAM KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2018-06-07 WO disclosed
US-20180148457-A1 FUSED HETEROCYCLIC COMPOUNDS AS CAM KINASE INHIBITORS GILEAD SCIENCES, INC. 2018-05-31 US disclosed
US-20180148457-A1 FUSED HETEROCYCLIC COMPOUNDS AS CAM KINASE INHIBITORS GILEAD SCIENCES, INC. 2018-05-31 US disclosed
US-20180148457-A1 FUSED HETEROCYCLIC COMPOUNDS AS CAM KINASE INHIBITORS GILEAD SCIENCES, INC. 2018-05-31 US disclosed
US-20160030414-A1 BENZOQUINOLINE INHIBITORS OF VMAT 2 AUSPEX PHARMACEUTICALS, INC. 2016-02-04 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 (3 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-10100058-B2 Fused heterocyclic compounds as CaM kinase inhibitors CAMK1, CAMKK1, CAMK1D PIK3CD 297/4885CAMKK1 2/4885CAMKK2 8/4885
US-20180148457-A1 FUSED HETEROCYCLIC COMPOUNDS AS CAM KINASE INHIBITORS CAMK1, CAMKK1, CAMK1D PIK3CD 297/4885CAMKK1 2/4885CAMKK2 8/4885
US-20160030414-A1 BENZOQUINOLINE INHIBITORS OF VMAT 2 SLC18A2, ACAT2, SLC6A2 PIK3CD 2285/4885CAMKK1 1439/4885CAMKK2 764/4885

“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.