SCHEMBL25001373

SCHEMBL25001373

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 11/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 2/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
CYP2C9 P11712 1/20 0.35
HIF1A Q16665 1/20 0.34
SLC6A2 P23975 2/20 0.34
CYP1A2 P05177 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
SCHEMBL25044369 0.86 HSD17B10 (0.39) CYP2D6MAPK1ALDH1A1CYP3A4TSHR
SCHEMBL24940878 0.86 CYP2D6 (0.37) CYP2D6SMN1; SMN2ALDH1A1CYP3A4TSHR
SCHEMBL25820353 0.86 CYP2D6 (0.43) CYP2D6SMN1; SMN2MAPK1ALDH1A1CYP3A4
SCHEMBL22477427 0.81 CYP2D6 (0.59) CYP2D6SMN1; SMN2MAPK1ALDH1A1CYP3A4
SCHEMBL25044367 0.80 HSD17B10 (0.35) CYP2D6ALDH1A1CYP3A4TSHRCYP2C9
SCHEMBL17624329 0.80 CYP2D6 (0.34) CYP2D6SMN1; SMN2ALDH1A1CYP3A4TSHR
SCHEMBL10273152 0.80 GAA (0.42) ALDH1A1SLC6A2
SCHEMBL20051946 0.79 CYP2D6 (0.38) CYP2D6SMN1; SMN2MAPK1ALDH1A1CYP3A4
SCHEMBL18497937 0.78 TSHR (0.46) CYP2D6SMN1; SMN2ALDH1A1CYP3A4TSHR
SCHEMBL18517451 0.75 TSHR (0.38) CYP2D6SMN1; SMN2CYP3A4TSHROPRM1

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 3 patents. 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
US-20230219986-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR QILU PHARMACEUTICAL CO., LTD. (CN) 2023-07-13 US disclosed
EP-4129996-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR QILU PHARMACEUTICAL CO., LTD. (CN) 2023-02-08 EP 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 CYP2D6 2252/4885SMN1; SMN2 4575/4885MAPK1 437/4885

“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.