SCHEMBL4512238

SCHEMBL4512238

CC[C@@H](N)CNc1ccnc(-c2cc(-c3cnn(CC(C)C)c3)ccc2O)n1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKD3 O94806 2/20 0.77
▸ PRKD1 Q15139 2/20 0.77
▸ PRKD2 Q9BZL6 2/20 0.77
▸ PRKCI P41743 1/20 0.38
▸ PRMT5 O14744 1/20 0.38
▸ WDR77 Q9BQA1 1/20 0.38
▸ PDPK1 O15530 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ JAK2 O60674 3/20 0.35
▸ LIPC P11150 1/20 0.35
▸ TTK P33981 1/20 0.34
▸ MAPK8 P45983 1/20 0.34
▸ GSK3B P49841 2/20 0.33
▸ DYRK1A Q13627 2/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ PIM3 Q86V86 1/20 0.33
▸ PIM2 Q9P1W9 1/20 0.33
▸ NAMPT P43490 1/20 0.33
▸ JAK1 P23458 1/20 0.33

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
SCHEMBL4512245 1.00 PRKD3 (0.77) PRKD3PRKD1PRKD2PRKCIPRMT5
SCHEMBL4512250 1.00 PRKD3 (0.77) PRKD3PRKD1PRKD2PRKCIPRMT5
SCHEMBL4514713 0.87 PRKD3 (1.00) PRKD3PRKD1PRKD2GSK3BDYRK1A
SCHEMBL4514725 0.87 PRKD3 (1.00) PRKD3PRKD1PRKD2GSK3BDYRK1A
SCHEMBL4514722 0.87 PRKD3 (1.00) PRKD3PRKD1PRKD2GSK3BDYRK1A
SCHEMBL4512734 0.87 PRKD3 (0.74) PRKD3PRKD1PRKD2PIK3CAMAPK1
SCHEMBL4512731 0.87 PRKD3 (0.74) PRKD3PRKD1PRKD2PIK3CAMAPK1
SCHEMBL4512723 0.87 PRKD3 (0.74) PRKD3PRKD1PRKD2PIK3CAMAPK1
Hydrochloric Acid SCHEMBL29565702 0.86 PRKD3 (0.98) PRKD3PRKD1PRKD2GSK3BDYRK1A
SCHEMBL4511350 0.82 PRKD3 (0.74) PRKD3PRKD1PRKD2MAPK1DYRK1A

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-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-10-01 — — US disclosed
US-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-10-01 — — US disclosed
WO-2007125331-A2 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-11-08 — — WO 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-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE PKD2, PKD1, AADAT PRKD3 9/4885PRKD1 49/4885PRKD2 18/4885

“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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