SCHEMBL22305208

SCHEMBL22305208

CC(C)CN1CCC2(CC1)CN(C)C2

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 15/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CYP3A4 P08684 3/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 3/20 0.40
USP2 O75604 2/20 0.40
TSHR P16473 3/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C9 P11712 2/20 0.38
HIF1A Q16665 2/20 0.38
CYP2C19 P33261 1/20 0.38
PIK3CD O00329 1/20 0.38

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
SCHEMBL13849353 0.90 CYP2D6 (0.51) CYP2D6SMN1; SMN2CYP3A4ALDH1A1CYP1A2
SCHEMBL18926690 0.87 CYP2D6 (0.56) CYP2D6SMN1; SMN2CYP3A4ALDH1A1CYP1A2
SCHEMBL22477427 0.85 CYP2D6 (0.59) CYP2D6SMN1; SMN2CYP3A4ALDH1A1CYP1A2
SCHEMBL18926689 0.84 CYP2D6 (0.68) CYP2D6SMN1; SMN2CYP3A4ALDH1A1CYP1A2
SCHEMBL24508755 0.83 CYP2D6 (0.49) CYP2D6SMN1; SMN2CYP3A4ALDH1A1CYP1A2
SCHEMBL18926698 0.83 CYP2D6 (0.56) CYP2D6SMN1; SMN2CYP3A4ALDH1A1CYP1A2
SCHEMBL23568282 0.82 CYP2D6 (0.49) CYP2D6SMN1; SMN2CYP3A4ALDH1A1CYP1A2
SCHEMBL23560445 0.82 CYP2D6 (0.49) CYP2D6SMN1; SMN2CYP3A4ALDH1A1CYP1A2
SCHEMBL14706855 0.82 CYP2D6 (0.66) CYP2D6SMN1; SMN2CYP3A4ALDH1A1CYP1A2
SCHEMBL24940878 0.82 CYP2D6 (0.37) CYP2D6SMN1; SMN2CYP3A4ALDH1A1CYP1A2

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
WO-2023116527-A1 COMPOUND AS FAK INHIBITOR AND USE THEREOF 微境生物医药科技(上海)有限公司 2023-06-29 WO disclosed
US-11254696-B2 Dianilinopyrimidine compound for inhibiting kinase activity SHENZHEN TARGETRX, INC. (CN) 2022-02-22 US disclosed
WO-2022025880-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2022-02-03 WO disclosed
US-20210087213-A1 DIANILINOPYRIMIDINE COMPOUND FOR INHIBITING KINASE ACTIVITY SHENZHEN TARGETRX, INC. (CN) 2021-03-25 US disclosed
WO-2020264499-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-12-30 WO disclosed
WO-2020160192-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2020-08-06 WO 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-20210087213-A1 DIANILINOPYRIMIDINE COMPOUND FOR INHIBITING KINASE ACTIVITY ALK, BRAF, MUSK CYP2D6 627/4885SMN1; SMN2 641/4885CYP3A4 1557/4885
US-11254696-B2 Dianilinopyrimidine compound for inhibiting kinase activity ALK, BRAF, MUSK CYP2D6 669/4885SMN1; SMN2 693/4885CYP3A4 1802/4885

“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.