SCHEMBL21657798

SCHEMBL21657798

Cc1nc2ncncc2nc1C(C)C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.36
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
ALDH1A1 P00352 3/20 0.32
CYP1A2 P05177 3/20 0.32
CYP3A4 P08684 3/20 0.32
CYP2C9 P11712 3/20 0.32
CYP2C19 P33261 2/20 0.32
HSD17B10 Q99714 2/20 0.31
EGFR P00533 4/20 0.31
USP2 O75604 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL21657921 0.93 PIK3CG (0.36) PIK3CGCYP11B1CYP11B2ALDH1A1CYP1A2
SCHEMBL8023101 0.87 PIK3CG (0.38) PIK3CGCYP11B1CYP11B2EGFR
SCHEMBL30792962 0.84 PIK3CG (0.35) PIK3CGCYP11B1CYP11B2ALDH1A1CYP1A2
Phosphoric Acid SCHEMBL6557342 0.81 PIK3CG (0.36) PIK3CG
SCHEMBL30290978 0.81 PIK3CG (0.41) PIK3CGALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL2490862 0.81 PIK3CG (0.41) PIK3CGALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL22792590 0.75 PIK3CG (0.33) PIK3CG
SCHEMBL3292267 0.73 PIK3CG (0.47) PIK3CGALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL18882007 0.71 BCHE (0.39) ALDH1A1CYP3A4
SCHEMBL1378685 0.71 PIK3CG (0.46) PIK3CGALDH1A1CYP1A2CYP3A4CYP2C9

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-10550116-B2 Fused bicyclic heterocycle derivatives as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-02-04 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-10550116-B2 Fused bicyclic heterocycle derivatives as pesticides DDT, BCHE, ACHE PIK3CG 1356/4885CYP11B1 121/4885CYP11B2 125/4885

“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.