SCHEMBL5116226

SCHEMBL5116226

CCOc1nc(NCc2ccc(Cl)cc2F)nc2ccc(-c3ccc(F)cc3)nc12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 10/20 0.42
NTRK3 Q16288 1/20 0.41
NTRK2 Q16620 1/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
ADORA2A P29274 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SLC2A1 P11166 1/20 0.37
BCDIN3D Q7Z5W3 1/20 0.36
GAA P10253 1/20 0.36
SGK1 O00141 1/20 0.36
CNR1 P21554 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
SCHEMBL5116006 0.92 GAA (0.43) NTRK1NTRK3NTRK2BCDIN3DGAA
SCHEMBL5116297 0.88 ARNT (0.39) NTRK1MEN1KMT2AALDH1A1TP53
SCHEMBL5111832 0.88 MAPT (0.36) NTRK1MEN1KMT2AKDM4EALDH1A1
SCHEMBL5115933 0.87 SGK1 (0.34) NTRK1NTRK3MEN1KMT2AKDM4E
SCHEMBL5114865 0.85 MAPT (0.41) NTRK1NTRK3TP53MAPTADORA2A
SCHEMBL5111887 0.83 MAPT (0.39) NTRK1NTRK3TP53MAPTADORA2A
SCHEMBL5116366 0.83 MAP4K4 (0.36) NTRK1NTRK3TP53MAPTADORA2A
SCHEMBL5110852 0.83 DYRK1A (0.40) NTRK1NTRK3TP53MAPTADORA2A
SCHEMBL5123076 0.83 MAP4K4 (0.35) ALDH1A1TP53MAPTADORA2ATDP1
SCHEMBL5116008 0.83 MAPT (0.41) MEN1KMT2ATP53MAPTADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US disclosed
US-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US disclosed
US-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US disclosed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US disclosed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US disclosed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US disclosed
WO-2008077651-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-03 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-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, DPYD, PNP NTRK1 3038/4885NTRK3 1021/4885NTRK2 2129/4885

“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.