SCHEMBL29974053

SCHEMBL29974053

CCOC(=O)N1C[C@H]2CCN([C@H](C)c3ccccc3)[C@H]2C1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
GAA P10253 1/20 0.48
CHRM1 P11229 5/20 0.47
CHRM5 P08912 1/20 0.47
CHRM2 P08172 1/20 0.47
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
HPGD P15428 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MAPT P10636 1/20 0.43
CYP3A4 P08684 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
NPY2R P49146 1/20 0.42
BRD4 O60885 1/20 0.42

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
SCHEMBL653594 1.00 TSHR (0.49) TSHRGAACHRM1CHRM5CHRM2
SCHEMBL653593 1.00 TSHR (0.49) TSHRGAACHRM1CHRM5CHRM2
SCHEMBL15498509 0.93 CHRM1 (0.50) TSHRGAACHRM1CHRM5CHRM2
SCHEMBL8147886 0.88 CYP2D6 (0.43) TSHRCHRM1CHRM5CHRM2CYP3A4
SCHEMBL19467730 0.85 CCR5 (0.42) CHRM1CHRM5CHRM2ALDH1A1KDM4E
SCHEMBL3582255 0.85 CCR5 (0.42) CHRM1CHRM5CHRM2ALDH1A1KDM4E
SCHEMBL3575935 0.85 CCR5 (0.42) CHRM1CHRM5CHRM2ALDH1A1KDM4E
SCHEMBL7687290 0.85 CCR5 (0.42) CHRM1CHRM5CHRM2ALDH1A1KDM4E
SCHEMBL5130929 0.85 CCR5 (0.42) CHRM1CHRM5CHRM2ALDH1A1KDM4E
SCHEMBL650351 0.85 GPR119 (0.51) ALDH1A1KDM4ENPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240425476-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2024-12-26 US disclosed
US-20240182441-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2024-06-06 US disclosed
EP-4119551-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS Astrazeneca AB (SE) 2023-01-18 EP disclosed
US-11524951-B2 2-(2,4,5-substituted-anilino)pyrimidine compounds ASTRAZENECA AB (SE) 2022-12-13 US disclosed
EP-4086246-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS AS EGFR MODULATORS AstraZeneca AB (SE) 2022-11-09 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 (3 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-20240425476-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS EGFR, ERBB2, ERBB3 TSHR 493/4885GAA 2034/4885CHRM1 4231/4885
US-11524951-B2 2-(2,4,5-substituted-anilino)pyrimidine compounds EGFR, ERBB2, ERBB3 TSHR 493/4885GAA 2034/4885CHRM1 4231/4885
US-20240182441-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS EGFR, ERBB2, ERBB3 TSHR 493/4885GAA 2034/4885CHRM1 4231/4885

“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.