SCHEMBL3935077

SCHEMBL3935077

CN(c1cc(-c2ccccc2)c2ncn(C)c2c1)c1ccnc(NCCOc2ccccc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 1/20 0.41
▸ HTR7 P34969 9/20 0.40
▸ ADRA1D P25100 2/20 0.35
▸ ADRA1A P35348 2/20 0.35
▸ ADRA1B P35368 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ CCNB2 O95067 1/20 0.35
▸ CCNE2 O96020 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CCNB1 P14635 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ CCNE1 P24864 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
SCHEMBL4011453 0.88 HTR7 (0.37) MAP3K5HTR7ADRA1DADRA1AADRA1B
SCHEMBL3924760 0.85 HRH4 (0.43) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL3927808 0.84 NPC1 (0.36) HTR7KDM4ECCNB2CCNE2ALDH1A1
SCHEMBL3924707 0.83 MKNK1 (0.45) HTR7KDM4ECCNB2CCNE2ALDH1A1
SCHEMBL3924645 0.81 CCNE2 (0.45) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL5948011 0.77 CCNE1 (0.48) CCNB2CCNE2CDK1CCNB1CCNA2
SCHEMBL3923592 0.77 DPP4 (0.37) KDM4EALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL3923646 0.76 VCP (0.35) CCNE2CYP3A4CYP2D6CCNA2CCNE1
SCHEMBL3933938 0.76 GRIN2B (0.41) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL3922932 0.75 KDR (0.39) CDK1CCNA2CDK2CCNA1CDK5

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 MAP3K5 1612/4885HTR7 3180/4885ADRA1D 604/4885

“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.

Send feedback