SCHEMBL25820299

SCHEMBL25820299

CN1CCC2(CC1)CCN(CC(C)(F)F)CC2

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
ALOX15 P16050 1/20 0.35
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
USP2 O75604 1/20 0.31
CYP2C19 P33261 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL25821326 0.86 HIF1A (0.37) HIF1ACYP1A2CYP2D6ALOX15CTSB
SCHEMBL12228922 0.83 CYP2D6 (0.37) HIF1ACYP1A2CYP2D6ALOX15TSHR
SCHEMBL15765844 0.81 HTT (0.39) USP2TSHR
SCHEMBL18199671 0.73
SCHEMBL26455588 0.73 CYP2D6 (0.37) CYP1A2CYP2D6ALOX15TSHR
SCHEMBL25001374 0.72 OPRM1 (0.35) HIF1ACYP1A2CYP2D6ALOX15TSHR
SCHEMBL1753867 0.72 TSHR (0.43) HIF1ACYP1A2TSHR
SCHEMBL12228917 0.72 CYP1A2 (0.35) CYP1A2CYP2D6ALOX15USP2CYP2C19
SCHEMBL12228921 0.72 TSHR (0.33) CYP1A2CYP2D6ALOX15TSHR
SCHEMBL22182595 0.72 HIF1A (0.36) HIF1ACYP1A2CYP2D6USP2CYP2C19

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-20230219986-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR QILU PHARMACEUTICAL CO., LTD. (CN) 2023-07-13 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-20230219986-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR EGFR, ERBB2, ERBB4 HIF1A 3211/4885CYP1A2 3174/4885CYP2D6 2252/4885

“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.