SCHEMBL3603371

SCHEMBL3603371

C#CCOc1nc(N)nc2ccc(-c3ccc(F)cc3)nc12

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.48
MAOA P21397 6/20 0.48
ACHE P22303 2/20 0.48
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
MGMT P16455 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CCNA1 P78396 1/20 0.40
KDM4E B2RXH2 2/20 0.37
MPO P05164 1/20 0.37
DHFR P00374 1/20 0.36
BCHE P06276 1/20 0.36
ADORA2A P29274 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
MAP4K4 O95819 2/20 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
SCHEMBL3613567 0.88 MAOA (0.38) MAOBMAOAACHEMGMTKDM4E
SCHEMBL3603372 0.87 MAOA (0.37) MAOBMAOAACHEMGMTKDM4E
SCHEMBL3611263 0.86 MPO (0.36) MAOBMAOAACHEMGMTKDM4E
SCHEMBL3610462 0.85 MPO (0.35) MAOBMAOAACHEMGMTKDM4E
SCHEMBL4122428 0.84 MPO (0.39) MGMTKDM4EMPODHFRADORA2A
SCHEMBL4529689 0.82 MPO (0.55) MAOBMGMTKDM4EMPODHFR
SCHEMBL4524522 0.82 MAPT (0.46) MGMTKDM4EMPODHFRADORA2A
SCHEMBL4108718 0.81 CDK1 (0.39) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL3604655 0.81 MPO (0.38) MGMTKDM4EMPODHFRADORA2A
SCHEMBL4526222 0.81 KDM4E (0.44) ACHEMGMTKDM4EMPODHFR

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-8637531-B2 Pyrido(3,2-d)pyridmidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-01-28 US claimed
US-20100048559-A1 PYRIDO(3,2-d)PYRIDMIDINES USEFUL FOR TREATING VIRAL INFECTIONS Gilead Science, Inc (US) 2010-02-25 US claimed
WO-2008077650-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-03 WO claimed
US-7709471-B2 Compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-20080009482-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 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 (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-20080009482-A1 NOVEL COMPOUNDS CYP11B2, CYP11B1, CYP46A1 MAOB 695/4885MAOA 1687/4885ACHE 2945/4885
US-20100048559-A1 PYRIDO(3,2-d)PYRIDMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, PLPBP, PDXK MAOB 243/4885MAOA 677/4885ACHE 2649/4885

“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.