SCHEMBL4988484

SCHEMBL4988484

CCC(CC)C(O)c1ccc(Nc2ccncn2)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 9/20 0.39
▸ MKNK2 Q9HBH9 2/20 0.38
▸ MPL P40238 5/20 0.36
▸ MAPKAPK2 P49137 1/20 0.36
▸ CCNA2 P20248 3/20 0.35
▸ CDK2 P24941 3/20 0.35
▸ CCNA1 P78396 3/20 0.35
▸ CDK5 Q00535 3/20 0.35
▸ DYRK1A Q13627 3/20 0.35
▸ CDK5R1 Q15078 3/20 0.35
▸ CCNT1 O60563 1/20 0.35
▸ CDK9 P50750 1/20 0.35

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
SCHEMBL27606911 0.77 MKNK1 (0.47) MKNK1MKNK2MPLMAPKAPK2CCNA2
SCHEMBL23867504 0.74 RAB9A (0.46) MKNK1MKNK2
SCHEMBL14843891 0.71 MKNK1 (0.49) MKNK1MKNK2MPLCDK5CDK9
SCHEMBL30611577 0.69 MEN1 (0.56) MKNK1MKNK2MPL
SCHEMBL4666187 0.69 RAD52 (0.59) MKNK1MKNK2MPL
SCHEMBL30062475 0.68 MEN1 (0.67) —
SCHEMBL10033201 0.68 MKNK1 (0.44) MKNK1MKNK2MPL
SCHEMBL1323687 0.68 MAPT (0.53) MKNK1MPLCDK2
SCHEMBL4878410 0.67 AURKA (0.60) MKNK1MPL
SCHEMBL4665864 0.67 MPL (0.51) MKNK1MPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7378433-B2 N-[4-(heteroarylmethyl)phenyl]-heteroarylamines JANSSEN PHARMACEUTICA, N.V. (BE) 2008-05-27 — — US disclosed
US-20070088062-A1 N-[4-(heteroarylmethyl)phenyl]-heteroarylamines JANSSEN PHARMACEUTICA, N.V. 2007-04-19 — — US disclosed
US-7205312-B2 N-[4-(heteroarylmethyl)phenyl]-heteroarylamines JANSSEN PHARMACEUTICA, N.V. (BE) 2007-04-17 — — US disclosed
US-20050113378-A1 N-[4-(heteroarylmethyl)phenyl]-heteroarylamines JANSSEN PHARMACEUTICA, N.V. 2005-05-26 — — US disclosed
EP-0907650-B1 N- 4-(HETEROARYLMETHYL)PHENYL]-HETEROARYLAMINES JANSSEN PHARMACEUTICA NV (BE) 2002-12-04 — — EP disclosed
US-6486187-B1 N-[4-(heteroarylmethyl)phenyl]-heteroarylamines JANSSEN PHARMACEUTICA N.V. (BE) 2002-11-26 — — US disclosed
US-6124330-A A RETINOIC MIMETIC COMPOUND FOR TREATING A WARM-BLOODED ANIMAL SUFFERING FROM A DISEASE BY AN ABNORMAL PROLIFERATION AND/OR ABNORMAL DIFFERENTIATION OF NORMAL, PRENEOPLASTIC OR NEOPLASTIC CELLS JANSSEN-CILAG S.A. (FR) 2000-09-26 — — US disclosed
EP-0907650-A1 N- 4-(HETEROARYLMETHYL)PHENYL]-HETEROARYLAMINES JANSSEN PHARMACEUTICA N.V. (BE) 1999-04-14 — — EP disclosed
WO-1997049704-A1 N-[4-(HETEROARYLMETHYL)PHENYL]-HETEROARYLAMINES JANSSEN PHARMACEUTICA N.V. (BE) 1997-12-31 — — 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 (2 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-20050113378-A1 N-[4-(heteroarylmethyl)phenyl]-heteroarylamines CYP2S1, CYP2D6, CYP2C19 MKNK1 2957/4885MKNK2 3081/4885MPL 1043/4885
US-20070088062-A1 N-[4-(heteroarylmethyl)phenyl]-heteroarylamines CYP2S1, CYP2D6, CYP2C19 MKNK1 2957/4885MKNK2 3081/4885MPL 1043/4885

“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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