SCHEMBL20206898

SCHEMBL20206898

COC(=O)c1cc(Cl)nc(N2CCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
PIK3CA P42336 1/20 0.45
PIK3CB P42338 1/20 0.45
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GPR119 Q8TDV5 2/20 0.39
USP2 O75604 1/20 0.39
PKM P14618 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL3716189 0.97 LMNA (0.46) LMNAPIK3CAPIK3CBALDH1A1KDM4E
SCHEMBL3716897 0.96 KDM4E (0.47) LMNAPIK3CAPIK3CBALDH1A1KDM4E
SCHEMBL3714245 0.89 KDM4E (0.51) LMNAPIK3CAPIK3CBALDH1A1KDM4E
SCHEMBL1579169 0.87 PIK3CA (0.58) PIK3CAPIK3CBALDH1A1KDM4ESMN1; SMN2
SCHEMBL31541836 0.86 ALDH1A1 (0.53) LMNAPIK3CAPIK3CBALDH1A1KDM4E
SCHEMBL1579188 0.86 PIK3CA (0.44) LMNAPIK3CAPIK3CBALDH1A1KDM4E
SCHEMBL3711790 0.85 LMNA (0.50) LMNAPIK3CAPIK3CBALDH1A1KDM4E
Hydrochloric Acid SCHEMBL3281624 0.84 LMNA (0.52) LMNAPIK3CAPIK3CBALDH1A1KDM4E
SCHEMBL3715952 0.84 ACACB (0.42) LMNATDP1
SCHEMBL3713961 0.83 LMNA (0.40) LMNAPIK3CAPIK3CBALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20180148457-A1 FUSED HETEROCYCLIC COMPOUNDS AS CAM KINASE INHIBITORS CAMK1, CAMKK1, CAMK1D LMNA 1251/4885PIK3CA 180/4885PIK3CB 324/4885

“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.