SCHEMBL4532161

SCHEMBL4532161

COCCOc1nc(N)nc2ccc(-c3ccccc3O)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPK10 P53779 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TLR8 Q9NR97 2/20 0.36
TLR7 Q9NYK1 2/20 0.36
SMARCA2 P51531 1/20 0.36
SMARCA4 P51532 1/20 0.36
CHEK1 O14757 2/20 0.35
CHEK2 O96017 2/20 0.35
ADORA2A P29274 2/20 0.34
HPGD P15428 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
SCHEMBL4534010 0.83 TSHR (0.46) TSHRALDH1A1LMNATDP1TLR8
SCHEMBL4519618 0.81 PIK3CG (0.40) TSHRMEN1MAPTKMT2ADHFR
SCHEMBL4516860 0.78 MAPT (0.41) TSHRSMN1; SMN2ALDH1A1MEN1MAPT
SCHEMBL4526596 0.77 PIK3CA (0.38) TSHRDHFRDPP4
SCHEMBL4527664 0.77 TSHR (0.42) TSHRALDH1A1MAPTLMNATLR8
SCHEMBL4528643 0.77 TSHR (0.39) TSHRALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL4514057 0.77 KDM4E (0.43) TSHRSMN1; SMN2ALDH1A1MEN1MAPT
SCHEMBL4526324 0.77 CBFB (0.42) TSHRTLR8TLR7DHFR
SCHEMBL3613491 0.76 SQOR (0.45) TSHRSMN1; SMN2MEN1MAPTKMT2A
SCHEMBL4520304 0.76 MAP4K4 (0.41) TSHRSMN1; SMN2ALDH1A1MEN1MAPT

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 4 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 claimed
US-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C GILEAD SCIENCES, INC. (US) 2009-05-21 US claimed
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-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C GILEAD SCIENCES, INC. (US) 2009-05-21 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 (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-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C DPYD, TYMP, PNPO TSHR 3042/4885SMN1; SMN2 2873/4885ALDH1A1 1010/4885

“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.