SCHEMBL20186276

SCHEMBL20186276

COC1CN(c2cc(C(=O)N3[C@H]4CCNC[C@@H]3CC4)cc(-c3cnn4ccc(-c5ccccc5)nc34)n2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 6/20 0.47
KCNH2 Q12809 2/20 0.47
CAMKK1 Q8N5S9 1/20 0.40
CAMKK2 Q96RR4 1/20 0.40
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
PIK3CD O00329 1/20 0.34
PIM1 P11309 3/20 0.33
PIM2 Q9P1W9 3/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
JAK2 O60674 1/20 0.32
NTRK1 P04629 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
TTK P33981 1/20 0.32

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
SCHEMBL20202162 1.00 CAMK2D (0.47) CAMK2DKCNH2CAMKK1CAMKK2ACACB
SCHEMBL20186781 1.00 CAMK2D (0.47) CAMK2DKCNH2CAMKK1CAMKK2ACACB
SCHEMBL20186316 0.89 CAMK2D (0.61) CAMK2DKCNH2
SCHEMBL20202160 0.89 CAMK2D (0.61) CAMK2DKCNH2
SCHEMBL20206905 0.86 CAMK2D (0.47) CAMK2DKCNH2CAMKK1CAMKK2ACACB
SCHEMBL20186323 0.84 CAMKK1 (0.45) CAMK2DKCNH2CAMKK1CAMKK2ACACB
SCHEMBL20186428 0.84 CAMKK1 (0.45) CAMK2DKCNH2CAMKK1CAMKK2ACACB
SCHEMBL20206906 0.82 CAMK2D (0.54) CAMK2DKCNH2CAMKK1CAMKK2PIK3CD
SCHEMBL20186109 0.81 CAMK2D (0.47) CAMK2DKCNH2CAMKK1CAMKK2ACACB
SCHEMBL20186718 0.81 CAMK2D (0.47) CAMK2DKCNH2CAMKK1CAMKK2ACACB

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 6 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
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 CAMK2D 6/4885KCNH2 388/4885CAMKK1 2/4885
US-20180148457-A1 FUSED HETEROCYCLIC COMPOUNDS AS CAM KINASE INHIBITORS CAMK1, CAMKK1, CAMK1D CAMK2D 6/4885KCNH2 388/4885CAMKK1 2/4885

“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.