SCHEMBL3927808

SCHEMBL3927808

CN(c1cc(-c2ccccc2)c2ncn(C)c2c1)c1ccnc(NCCc2ccccc2Cl)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KDR P35968 6/20 0.35
▸ FGFR1 P11362 3/20 0.35
▸ EPHB4 P54760 2/20 0.35
▸ CDK1 P06493 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ CCNB2 O95067 1/20 0.34
▸ CCNE2 O96020 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CCNB1 P14635 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ CCNA2 P20248 1/20 0.34
▸ CCNE1 P24864 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
SCHEMBL3924707 0.85 MKNK1 (0.45) NPC1RAB9AKDRFGFR1CDK1
SCHEMBL3935077 0.84 MAP3K5 (0.41) KDRFGFR1EPHB4CDK1KDM4E
SCHEMBL14396352 0.84 SYK (0.36) NPC1RAB9AKDRFGFR1EPHB4
SCHEMBL3924760 0.83 HRH4 (0.43) KDRFGFR1EPHB4CCNE2CCNA2
SCHEMBL3924645 0.80 CCNE2 (0.45) KDRFGFR1EPHB4CCNE2CCNA2
SCHEMBL5948011 0.75 CCNE1 (0.48) FGFR1CDK1CCNB2CCNE2CCNB1
SCHEMBL3923592 0.75 DPP4 (0.37) KDRFGFR1EPHB4KDM4EALDH1A1
SCHEMBL3923646 0.74 VCP (0.35) KDRFGFR1EPHB4CCNE2CYP3A4
SCHEMBL3933938 0.74 GRIN2B (0.41) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL3922932 0.74 KDR (0.39) KDRFGFR1EPHB4CDK1CCNA2

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 NPC1 3224/4885RAB9A 1640/4885KDR 299/4885

“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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