SCHEMBL6827724

SCHEMBL6827724

CN(C)c1cc(-c2cccc(F)c2)nc2ccc3ncsc3c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAP4K4 O95819 5/20 0.38
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
PFKFB3 Q16875 2/20 0.34
ALDH1A1 P00352 2/20 0.34
PIM1 P11309 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
KMO O15229 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL6822520 0.83 KDM4E (0.43) KDM4EMAPTMEN1KMT2AMAP4K4
SCHEMBL6825688 0.76 MAP4K4 (0.37) KDM4EMAPTMEN1KMT2AMAP4K4
SCHEMBL6825776 0.75 MAP4K4 (0.39) MAP4K4BCHEACHEPDGFRBPDGFRA
SCHEMBL4825593 0.72 ACP1 (0.57) MAPTBCHEACHEALDH1A1LMNA
SCHEMBL4025078 0.71 RXFP1 (0.42) KDM4EKMT2AMAP4K4HPGD
SCHEMBL4823424 0.71 MAP4K4 (0.43) KDM4EMAPTMEN1KMT2AMAP4K4
SCHEMBL4031738 0.71 DHODH (0.45) MEN1KMT2AMAP4K4PIM1
SCHEMBL4026356 0.69 NT5E (0.43) KDM4EMAPTMEN1KMT2AMAP4K4
SCHEMBL4025761 0.67 NT5E (0.44) KDM4EMEN1KMT2AMAP4K4PIM1
SCHEMBL6530375 0.67 ACP1 (0.49) KDM4EMAPTMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040214833-A1 Tricyclic heteroaromatic compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-10-28 US claimed
WO-2004089950-A1 TRICYCLIC HETEROAROMATIC COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-10-21 WO claimed
US-20040214833-A1 Tricyclic heteroaromatic compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-10-28 US disclosed
WO-2004089950-A1 TRICYCLIC HETEROAROMATIC COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-10-21 WO disclosed
WO-2004089950-A1 TRICYCLIC HETEROAROMATIC COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-10-21 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-20040214833-A1 Tricyclic heteroaromatic compounds CYP1A1, SULT2A1, CYP1B1 KDM4E 3288/4885MAPT 1759/4885MEN1 1996/4885

“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.