SCHEMBL4112530

SCHEMBL4112530

CCCc1nc(N)nc2ccc(-c3ccc(OCc4ccccc4)nc3)nc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.39
GAA P10253 1/20 0.39
NUDT1 P36639 1/20 0.38
FFAR1 O14842 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
GHSR Q92847 2/20 0.36
DCPS Q96C86 1/20 0.36
DHFR P00374 2/20 0.36
PKM P14618 1/20 0.36
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
ATM Q13315 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
CDK1 P06493 1/20 0.34
CCNB1 P14635 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
SCHEMBL4102317 0.89 LOXL2 (0.41) PIK3CAMTORLOXL2NUDT1GHSR
SCHEMBL4102236 0.85 PIK3CA (0.44) PIK3CAMTOR
SCHEMBL4108170 0.83 LOXL2 (0.42) PIK3CAMTORLOXL2GAANUDT1
SCHEMBL4097586 0.83 ALOX5 (0.42) GAAGHSR
Dimethylamine SCHEMBL4107584 0.82 PIK3CA (0.39) PIK3CAMTORNUDT1TLR8TLR7
SCHEMBL4108390 0.81 PDE4A (0.46) CYP1A2CYP2D6DCPSDHFR
SCHEMBL4106907 0.81 ATM (0.48) ATM
SCHEMBL4101492 0.80 HEXA (0.39) PIK3CAMTORDHFRPKM
SCHEMBL4107331 0.80 TLR4 (0.47) CYP1A2CYP2D6DCPSDHFRTLR8
SCHEMBL4100777 0.80 PIK3CA (0.51) PIK3CAMTORTLR8TLR7

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-8338435-B2 Substituted pyrido(3,2-D) pyrimidines and pharmaceutical compositions for treating viral infections GILEAD SCIENCES, INC. (US) 2012-12-25 US claimed
US-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2009-10-08 US claimed
WO-2008009076-A2 SUBSTITUTED PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO claimed
US-8338435-B2 Substituted pyrido(3,2-D) pyrimidines and pharmaceutical compositions for treating viral infections GILEAD SCIENCES, INC. (US) 2012-12-25 US disclosed
US-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2009-10-08 US disclosed
WO-2008009076-A2 SUBSTITUTED PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 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-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS PNPO, PNP, DPYD PIK3CA 588/4885MTOR 3769/4885LOXL2 1926/4885

“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.