SCHEMBL4573381

SCHEMBL4573381

[NH]Cc1c(F)cc(Cl)cc1F

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
IDO1 P14902 1/20 0.32
CNR1 P21554 1/20 0.31
SLC2A1 P11166 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TAAR1 Q96RJ0 1/20 0.30

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
SCHEMBL4574423 0.78 CNR1 (0.33) CNR1ALDH1A1TAAR1
SCHEMBL31722228 0.76 TSHR (0.37) TSHRALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL12332565 0.74 TSHR (0.35) TSHRALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL147261 0.74 TSHR (0.35) TSHRALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL3082888 0.74 TSHR (0.35) TSHRIDO1CNR1ALDH1A1CYP1A2
SCHEMBL1139983 0.74 TSHR (0.35) TSHRALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL1764730 0.74 TAAR1 (0.39) TSHRIDO1TAAR1
SCHEMBL2090995 0.72 ALDH1A1 (0.45) TSHRIDO1ALDH1A1CYP1A2CYP2C9
SCHEMBL31010414 0.70 ALDH1A1 (0.38) TSHRALDH1A1HPGD
SCHEMBL28935841 0.70 ALDH1A1 (0.38) TSHRALDH1A1HPGD

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-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US claimed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US claimed
WO-2008077651-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-03 WO claimed
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
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 TSHR 1736/4885IDO1 343/4885CNR1 504/4885

“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.