SCHEMBL20186428

SCHEMBL20186428

Nc1cc(C(=O)N2[C@H]3CCNC[C@@H]2CC3)cc(-c2cnn3ccc(-c4ccccc4)nc23)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMKK1 Q8N5S9 1/20 0.45
CAMKK2 Q96RR4 1/20 0.45
KCNH2 Q12809 2/20 0.37
PIK3CD O00329 2/20 0.36
PIM1 P11309 3/20 0.36
PIM2 Q9P1W9 2/20 0.36
CHEK1 O14757 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
CYBB P04839 1/20 0.34
PCSK9 Q8NBP7 1/20 0.34
CAMK2D Q13557 4/20 0.34
EGFR P00533 1/20 0.33
SRC P12931 1/20 0.33
ACACB O00763 2/20 0.33
ACACA Q13085 2/20 0.33
SLC2A1 P11166 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33

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
SCHEMBL20186323 1.00 CAMKK1 (0.45) CAMKK1CAMKK2KCNH2PIK3CDPIM1
SCHEMBL20186852 0.88 CAMK2D (0.46) KCNH2CAMK2D
SCHEMBL20186065 0.88 CAMK2D (0.46) KCNH2CAMK2D
SCHEMBL20186396 0.85 CAMKK1 (0.46) CAMKK1CAMKK2KCNH2PIK3CDPCSK9
SCHEMBL20202118 0.85 CAMKK1 (0.46) CAMKK1CAMKK2KCNH2PIK3CDPCSK9
SCHEMBL20202162 0.84 CAMK2D (0.47) CAMKK1CAMKK2KCNH2PIK3CDPIM1
SCHEMBL20186276 0.84 CAMK2D (0.47) CAMKK1CAMKK2KCNH2PIK3CDPIM1
SCHEMBL20186781 0.84 CAMK2D (0.47) CAMKK1CAMKK2KCNH2PIK3CDPIM1
SCHEMBL20206870 0.79 CAMKK1 (0.40) CAMKK1CAMKK2KCNH2PIK3CDCYBB
SCHEMBL20202115 0.77 CAMK2D (0.55) KCNH2CAMK2D

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 8 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
US-10100058-B2 Fused heterocyclic compounds as CaM kinase inhibitors GILEAD SCIENCES, INC. (US) 2018-10-16 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 CAMKK1 2/4885CAMKK2 8/4885KCNH2 388/4885
US-20180148457-A1 FUSED HETEROCYCLIC COMPOUNDS AS CAM KINASE INHIBITORS CAMK1, CAMKK1, CAMK1D CAMKK1 2/4885CAMKK2 8/4885KCNH2 388/4885

“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.