SCHEMBL14718396

SCHEMBL14718396

C[C@H](c1ccccc1)N1CC[C@@H]2CN(C)C[C@@H]21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 9/20 0.50
▸ MC4R P32245 1/20 0.46
▸ HTR1A P08908 3/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ CHRNB4 P30926 1/20 0.43
▸ CHRNA3 P32297 1/20 0.43
▸ OPRM1 P35372 2/20 0.42
▸ OPRD1 P41143 1/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ OPRL1 P41146 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ DRD1 P21728 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39

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
SCHEMBL7687290 0.80 CCR5 (0.42) HTR1ACYP2D6CHRNB4CHRNA3OPRM1
SCHEMBL19467730 0.80 CCR5 (0.42) HTR1ACYP2D6CHRNB4CHRNA3OPRM1
SCHEMBL5130929 0.80 CCR5 (0.42) HTR1ACYP2D6CHRNB4CHRNA3OPRM1
SCHEMBL3575935 0.80 CCR5 (0.42) HTR1ACYP2D6CHRNB4CHRNA3OPRM1
SCHEMBL3582255 0.80 CCR5 (0.42) HTR1ACYP2D6CHRNB4CHRNA3OPRM1
SCHEMBL23109008 0.78 HRH3 (0.41) HRH3KCNH2
SCHEMBL23133706 0.78 HRH3 (0.41) HRH3KCNH2
SCHEMBL14472574 0.78 HRH3 (0.41) HRH3KCNH2
SCHEMBL23102865 0.78 HRH3 (0.41) HRH3KCNH2
SCHEMBL23102866 0.78 HRH3 (0.41) HRH3KCNH2

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 21 patents — showing the first 20. 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
US-20210130318-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2021-05-06 — — US disclosed
US-10858336-B2 2-(2,4,5-substituted-anilino)pyrimidine compounds ASTAZENECA AB (SE) 2020-12-08 — — US disclosed
EP-3686194-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS Astrazeneca AB (SE) 2020-07-29 — — EP disclosed
EP-3686193-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS Astrazeneca AB (SE) 2020-07-29 — — EP disclosed
EP-3333161-B1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE DERIVATIVES AS EGFR MODULATORS USEFUL FOR TREATING CANCER ASTRAZENECA AB (SE) 2020-02-19 — — EP disclosed
US-10017493-B2 2-(2,4,5-substituted-anilino)pyrimidine compounds ASTRAZENECA AB (SE) 2018-07-10 — — US disclosed
US-20180162832-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2018-06-14 — — US disclosed
EP-3333161-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE DERIVATIVES AS EGFR MODULATORS USEFUL FOR TREATING CANCER Astrazeneca AB (SE) 2018-06-13 — — EP disclosed
EP-3009431-B1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE DERIVATIVES AS EGFR MODULATORS USEFUL FOR TREATING CANCER ASTRAZENECA AB (SE) 2017-10-25 — — EP disclosed
US-9732058-B2 2-(2,4,5-substituted-anilino)pyrimidine compounds ASTRAZENECA AB (SE) 2017-08-15 — — US disclosed
EP-3009431-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE DERIVATIVES AS EGFR MODULATORS USEFUL FOR TREATING CANCER Astrazeneca AB (SE) 2016-04-20 — — EP disclosed
EP-2736895-B1 2-(2,4,5-SUBSTITUTED-ANILINO) PYRIMIDINE DERIVATIVES AS EGFR MODULATORS USEFUL FOR TREATING CANCER ASTRAZENECA AB (SE) 2016-01-06 — — EP disclosed
US-20150119379-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2015-04-30 — — US disclosed
US-8946235-B2 2-(2,4,5-substituted-anilino) pyrimidine compounds ASTRAZENECA AB (SE) 2015-02-03 — — US disclosed
US-20130053409-A1 2-(2,4,5-SUBSTITUTED-ANILINO) PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2013-02-28 — — 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 (9 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-20130053409-A1 2-(2,4,5-SUBSTITUTED-ANILINO) PYRIMIDINE COMPOUNDS EGFR, ERBB2, ERBB3 HRH3 3754/4885MC4R 3370/4885HTR1A 2479/4885
US-20180162832-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS EGFR, ERBB2, ERBB3 HRH3 3754/4885MC4R 3370/4885HTR1A 2479/4885
US-20210130318-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS EGFR, ERBB2, ERBB3 HRH3 3754/4885MC4R 3370/4885HTR1A 2479/4885
US-10017493-B2 2-(2,4,5-substituted-anilino)pyrimidine compounds EGFR, ERBB2, ERBB3 HRH3 3754/4885MC4R 3370/4885HTR1A 2479/4885
US-10858336-B2 2-(2,4,5-substituted-anilino)pyrimidine compounds EGFR, ERBB2, ERBB3 HRH3 3754/4885MC4R 3370/4885HTR1A 2479/4885
US-20240425476-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS EGFR, ERBB2, ERBB3 HRH3 3754/4885MC4R 3370/4885HTR1A 2479/4885
US-20150119379-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS EGFR, ERBB2, ERBB3 HRH3 3754/4885MC4R 3370/4885HTR1A 2479/4885
US-11524951-B2 2-(2,4,5-substituted-anilino)pyrimidine compounds EGFR, ERBB2, ERBB3 HRH3 3754/4885MC4R 3370/4885HTR1A 2479/4885
US-20240182441-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS EGFR, ERBB2, ERBB3 HRH3 3754/4885MC4R 3370/4885HTR1A 2479/4885

“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.

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