SCHEMBL328244

SCHEMBL328244

CN1CCN(C2CCN(c3cccc(N)c3)CC2)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 2/20 0.71
ALDH1A1 P00352 3/20 0.59
VCP P55072 1/20 0.56
L3MBTL3 Q96JM7 5/20 0.49
L3MBTL1 Q9Y468 5/20 0.49
MBTD1 Q05BQ5 2/20 0.49
TP53BP1 Q12888 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
GRIN2B Q13224 1/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
GFER P55789 1/20 0.45
KMT2A Q03164 1/20 0.45
PTK2B Q14289 1/20 0.45
ESR2 Q92731 1/20 0.45
AGXT P21549 1/20 0.44
JAK2 O60674 1/20 0.44
PTK2 Q05397 1/20 0.44
ACVR1 Q04771 1/20 0.44

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
SCHEMBL24073827 0.86 L3MBTL3 (0.67) ADRA2CALDH1A1L3MBTL3L3MBTL1MBTD1
SCHEMBL24774008 0.85 ALDH1A1 (0.59) ADRA2CALDH1A1VCPL3MBTL3L3MBTL1
SCHEMBL2635187 0.84 VCP (0.58) ADRA2CALDH1A1VCPL3MBTL3L3MBTL1
SCHEMBL448110 0.84 ADRA2C (1.00) ADRA2CALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL156422 0.83 ALDH1A1 (0.68) ADRA2CALDH1A1VCPL3MBTL3L3MBTL1
SCHEMBL30378754 0.82 TSHR (0.61) ALDH1A1VCPL3MBTL1SMN1; SMN2KDM4E
SCHEMBL19288664 0.82 TSHR (0.61) ALDH1A1VCPL3MBTL1SMN1; SMN2KDM4E
SCHEMBL28330181 0.82 L3MBTL1 (0.71) ALDH1A1VCPL3MBTL3L3MBTL1MBTD1
Hydrochloric Acid SCHEMBL16209754 0.82 ADRA2C (0.96) ADRA2CALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL23122819 0.82 MAPT (0.54) ADRA2CALDH1A1VCPL3MBTL3L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230310428-A1 EGFR INHIBITOR AND PREPARATION METHOD AND USE THEREOF Hongyun Biotech Co., Ltd. (CN) 2023-10-05 US disclosed
WO-2021238827-A1 EGFR INHIBITOR AND PREPARATION METHOD AND USE THEREOF 南京红云生物科技有限公司 2021-12-02 WO disclosed
US-9487491-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2016-11-08 US disclosed
US-9487491-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2016-11-08 US disclosed
EP-2428508-B9 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2016-04-20 EP disclosed
EP-2428508-B1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2015-12-16 EP disclosed
US-8969336-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2015-03-03 US disclosed
US-8969336-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2015-03-03 US disclosed
US-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-18 US disclosed
US-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-18 US disclosed
EP-2428508-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND Astellas Pharma Inc. (JP) 2012-03-14 EP disclosed
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND WATERS TECHNOLOGIES CORPORATION (US) 2012-02-16 US disclosed
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND WATERS TECHNOLOGIES CORPORATION (US) 2012-02-16 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 (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-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 ADRA2C 4411/4885ALDH1A1 1554/4885VCP 4556/4885
US-20230310428-A1 EGFR INHIBITOR AND PREPARATION METHOD AND USE THEREOF EGFR, ERBB2, ERBB4 ADRA2C 3819/4885ALDH1A1 3822/4885VCP 3414/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 ADRA2C 4411/4885ALDH1A1 1554/4885VCP 4556/4885

“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.