SCHEMBL20186087

SCHEMBL20186087

NCC1CCCCN1C(=O)c1cc(-c2cnn3ccc(-c4ccccc4)nc23)nc(C2CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CAMKK1 Q8N5S9 1/20 0.50
CAMKK2 Q96RR4 1/20 0.50
CAMK2D Q13557 4/20 0.39
HCRTR1 O43613 6/20 0.39
HCRTR2 O43614 6/20 0.39
PIK3CD O00329 1/20 0.38
DAGLA Q9Y4D2 1/20 0.37
NFE2L2 Q16236 5/20 0.37
KEAP1 Q14145 3/20 0.37
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 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
SCHEMBL20186086 1.00 CAMKK1 (0.50) CAMKK1CAMKK2CAMK2DHCRTR1HCRTR2
SCHEMBL20186261 0.90 CAMKK1 (0.48) CAMKK1CAMKK2CAMK2DHCRTR1HCRTR2
SCHEMBL20186269 0.90 CAMKK1 (0.48) CAMKK1CAMKK2CAMK2DHCRTR1HCRTR2
SCHEMBL20186733 0.90 CAMKK1 (0.48) CAMKK1CAMKK2CAMK2DHCRTR1HCRTR2
SCHEMBL20186122 0.90 CAMKK1 (0.48) CAMKK1CAMKK2CAMK2DHCRTR1HCRTR2
SCHEMBL20186125 0.90 CAMKK1 (0.48) CAMKK1CAMKK2CAMK2DHCRTR1HCRTR2
SCHEMBL20186545 0.88 CAMKK1 (0.46) CAMKK1CAMKK2CAMK2DHCRTR1HCRTR2
SCHEMBL20186500 0.88 CAMKK1 (0.46) CAMKK1CAMKK2CAMK2DHCRTR1HCRTR2
SCHEMBL20186162 0.88 CAMKK1 (0.46) CAMKK1CAMKK2CAMK2DHCRTR1HCRTR2
SCHEMBL20186565 0.88 CAMKK1 (0.46) CAMKK1CAMKK2CAMK2DHCRTR1HCRTR2

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 9 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
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

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 8/4885CAMK2D 6/4885
US-20180148457-A1 FUSED HETEROCYCLIC COMPOUNDS AS CAM KINASE INHIBITORS CAMK1, CAMKK1, CAMK1D CAMKK1 2/4885CAMKK2 8/4885CAMK2D 6/4885

“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.