SCHEMBL3924389

SCHEMBL3924389

CN(c1cc(-c2ccccc2)c2ncn(C)c2c1)c1ccnc(NC2CCN(C(=O)O)CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 10/20 0.40
▸ MAPK9 P45984 10/20 0.40
▸ JUN P05412 7/20 0.40
▸ MAPK10 P53779 3/20 0.40
▸ CDK2 P24941 8/20 0.39
▸ MAPK14 Q16539 2/20 0.38
▸ JAK3 P52333 1/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ CCNA2 P20248 2/20 0.35
▸ CCNA1 P78396 2/20 0.35
▸ CCNE2 O96020 1/20 0.35
▸ CCNE1 P24864 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ PIKFYVE Q9Y2I7 1/20 0.35
▸ FGFR1 P11362 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ EPHB4 P54760 1/20 0.35
▸ HDAC1 Q13547 1/20 0.34
▸ NOS3 P29474 1/20 0.34
▸ NOS1 P29475 1/20 0.34

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
SCHEMBL5948116 0.90 USP30 (0.44) MAPK14
SCHEMBL5948011 0.87 CCNE1 (0.48) MAPK8MAPK9MAPK10CDK2JAK3
SCHEMBL5317262 0.84 MAPK8 (0.39) MAPK8MAPK9JUNMAPK10CDK2
SCHEMBL3933938 0.82 GRIN2B (0.41) CDK2CCNA2CCNA1CCNE2CCNE1
SCHEMBL3922542 0.81 GRIN2B (0.40) —
SCHEMBL5263292 0.80 MAPK8 (0.40) MAPK8MAPK9JUNMAPK10CDK2
SCHEMBL5264929 0.79 IRAK1 (0.41) MAPK8MAPK9JUNMAPK10CDK2
SCHEMBL3924645 0.78 CCNE2 (0.45) CDK2FLT3CCNA2CCNA1CCNE2
SCHEMBL5913989 0.77 AURKA (0.42) MAPK8MAPK9JUNMAPK10CDK2
SCHEMBL3922547 0.77 VCP (0.37) CDK2CCNA2CCNA1CCNE2CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2041118-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen, Inc (US) 2009-04-01 — — EP claimed
WO-2007114827-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2007-10-11 — — WO claimed
US-20060247263-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2006-11-02 — — US claimed
EP-2041118-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen, Inc (US) 2009-04-01 — — EP disclosed
WO-2007114827-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2007-10-11 — — WO disclosed
US-20060247263-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2006-11-02 — — 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 (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-20060247263-A1 Substituted heterocyclic compounds and methods of use MAPT, IAPP, MYLK2 MAPK8 2063/4885MAPK9 3163/4885JUN 889/4885

“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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