SCHEMBL20186839

SCHEMBL20186839

O=C(c1ccnc(-c2cnn3ccc(-c4ccccc4)nc23)c1)N1CCC2CCNCC21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.44
CAMKK1 Q8N5S9 1/20 0.44
CAMKK2 Q96RR4 1/20 0.44
CAMK2D Q13557 8/20 0.41
PCSK9 Q8NBP7 2/20 0.38
KCNH2 Q12809 4/20 0.38
EGFR P00533 1/20 0.37
RPLP1 P05386 1/20 0.37
RPLP0 P05388 1/20 0.37
RPS17 P08708 1/20 0.37
RPSA P08865 1/20 0.37
RPS2 P15880 1/20 0.37
RPL35A P18077 1/20 0.37
RPL7 P18124 1/20 0.37
RPL17 P18621 1/20 0.37
RPS4Y1 P22090 1/20 0.37
RPS3 P23396 1/20 0.37
RPS12 P25398 1/20 0.37
RPL13 P26373 1/20 0.37
RPL10 P27635 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
SCHEMBL20186525 0.94 PIK3CD (0.45) PIK3CDCAMKK1CAMKK2CAMK2DPCSK9
SCHEMBL20225424 0.87 CAMKK1 (0.49) PIK3CDCAMKK1CAMKK2CAMK2DKCNH2
SCHEMBL20225396 0.87 CAMKK1 (0.51) PIK3CDCAMKK1CAMKK2CAMK2DKCNH2
SCHEMBL20225324 0.85 CAMKK1 (0.45) PIK3CDCAMKK1CAMKK2CAMK2DPCSK9
SCHEMBL20186241 0.83 CAMK2D (0.57) CAMK2DKCNH2
SCHEMBL20186627 0.83 CAMKK1 (0.47) PIK3CDCAMKK1CAMKK2CAMK2DPCSK9
SCHEMBL20186630 0.83 CAMKK1 (0.47) PIK3CDCAMKK1CAMKK2CAMK2DPCSK9
SCHEMBL20186396 0.82 CAMKK1 (0.46) PIK3CDCAMKK1CAMKK2CAMK2DPCSK9
SCHEMBL20202118 0.82 CAMKK1 (0.46) PIK3CDCAMKK1CAMKK2CAMK2DPCSK9
SCHEMBL20202124 0.79 PIK3CD (0.49) 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 14 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
EP-3548495-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS CAM KINASE INHIBITORS Gilead Sciences, Inc. (US) 2019-10-09 EP claimed
US-10100058-B2 Fused heterocyclic compounds as CaM kinase inhibitors GILEAD SCIENCES, INC. (US) 2018-10-16 US claimed
WO-2018102384-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS CAM KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2018-06-07 WO 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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

“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.