SCHEMBL3934069

SCHEMBL3934069

CC(=O)Nc1nc(Nc2ccccc2)c2nc(-c3ccc(F)cc3)ccc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK2 Q9HBH9 4/20 0.49
JAK2 O60674 1/20 0.47
JAK3 P52333 1/20 0.47
ADORA3 P0DMS8 3/20 0.45
ADORA1 P30542 1/20 0.45
KDM4E B2RXH2 5/20 0.45
MEN1 O00255 4/20 0.45
MAPT P10636 4/20 0.45
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 3/20 0.45
MKNK1 Q9BUB5 1/20 0.43
MAPK1 P28482 2/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
PIK3CA P42336 1/20 0.42
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 2/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL4525489 0.89 MAPT (0.44) MKNK2ADORA3KDM4EMEN1MAPT
SCHEMBL4533809 0.84 ACHE (0.59) ADORA3ADORA1MEN1MAPTKMT2A
SCHEMBL4526021 0.82 MAP4K4 (0.45) MKNK2ADORA3ADORA1KDM4EMEN1
SCHEMBL4537447 0.82 ADORA3 (0.45) MKNK2ADORA3ADORA1KDM4EMEN1
SCHEMBL4522493 0.81 ADORA3 (0.52) ADORA3ADORA1MEN1MAPTKMT2A
SCHEMBL11912932 0.80 ADORA3 (0.48) ADORA3ADORA1KDM4EMEN1KMT2A
SCHEMBL4566109 0.80 ADORA3 (0.40) MKNK2ADORA3ADORA1KDM4EMEN1
SCHEMBL4113888 0.79 ADORA3 (0.46) ADORA3ADORA1KDM4EMEN1MAPT
SCHEMBL4525792 0.78 ACHE (0.40) ADORA3KDM4EMEN1MAPTKMT2A
SCHEMBL4516816 0.78 NPR1 (0.45) ADORA3ADORA1ADORA2A

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
US-8232278-B2 Pyrido(3,2-D)pyrimidines and pharmaceutical compositions useful for treating hepatitis C GILEAD SCIENCES, INC. (US) 2012-07-31 US disclosed
US-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-10-22 US disclosed
US-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C GILEAD SCIENCES, INC. (US) 2009-05-21 US disclosed
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-02-05 US disclosed
WO-2009003669-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-01-08 WO disclosed
US-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2008-01-03 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 (4 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-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C DPYD, TYMP, PNPO MKNK2 3478/4885JAK2 1569/4885JAK3 699/4885
US-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP MKNK2 3818/4885JAK2 1838/4885JAK3 116/4885
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP MKNK2 3818/4885JAK2 1838/4885JAK3 116/4885
US-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP MKNK2 3818/4885JAK2 1838/4885JAK3 116/4885

“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.