SCHEMBL4115754

SCHEMBL4115754

CCCc1nc(N)nc2ccc(-c3ccc(N4CCNCC4)nc3)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 4/20 0.44
HDAC1 Q13547 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ATR Q13535 1/20 0.41
ZAP70 P43403 2/20 0.40
PRKD3 O94806 1/20 0.40
EGFR P00533 1/20 0.40
PRKCG P05129 1/20 0.40
PRKCB P05771 1/20 0.40
LCK P06239 1/20 0.40
PRKCA P17252 1/20 0.40
PRKCH P24723 1/20 0.40
PRKCI P41743 1/20 0.40
PRKCE Q02156 1/20 0.40
PRKCQ Q04759 1/20 0.40
PRKCZ Q05513 1/20 0.40
PRKCD Q05655 1/20 0.40
PRKD1 Q15139 1/20 0.40
RET P07949 1/20 0.40

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
SCHEMBL4111976 0.89 DHFR (0.47) DHFRHDAC10ATRKCNH2HRH4
SCHEMBL4102242 0.85 DHFR (0.44) DHFRKCNH2HRH4HRH3
SCHEMBL4112601 0.85 NMT1 (0.46) DHFRATRPRKD3PRKD1KCNH2
SCHEMBL4102253 0.84 ATR (0.46) HDAC1HDAC10HDAC6ATRRET
SCHEMBL4107991 0.80 L3MBTL1 (0.44) DHFR
SCHEMBL4110029 0.80 ATR (0.53) HDAC1HDAC10HDAC6ATRALOX5AP
SCHEMBL4101492 0.79 HEXA (0.39) DHFRLCKPRKD1
SCHEMBL4112651 0.79 MKNK2 (0.50) ATREGFRKCNH2
SCHEMBL4096289 0.78 HEXA (0.39) DHFR
SCHEMBL4102239 0.78 HTR7 (0.44) DHFRKCNH2HRH4HRH3

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 DHFR 145/4885HDAC1 3124/4885HDAC10 2823/4885

“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.