SCHEMBL1789779

SCHEMBL1789779

CCC(NC(=O)C(F)(F)F)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
HPGD P15428 2/20 0.55
KDM4E B2RXH2 1/20 0.55
LMNA P02545 1/20 0.55
TSHR P16473 1/20 0.55
HSD17B10 Q99714 1/20 0.55
RIPK1 Q13546 1/20 0.55
KCNA5 P22460 4/20 0.51
TDP1 Q9NUW8 1/20 0.51
EPHX2 P34913 2/20 0.50
SLC6A9 P48067 1/20 0.50
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
NPC1 O15118 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TACR3 P29371 1/20 0.45

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
SCHEMBL1789777 1.00 ALDH1A1 (0.55) ALDH1A1HPGDKDM4ELMNATSHR
SCHEMBL2981738 0.85 RIPK1 (0.65) ALDH1A1HPGDRIPK1EPHX2MEN1
SCHEMBL9973450 0.85 RIPK1 (0.65) ALDH1A1HPGDRIPK1EPHX2MEN1
SCHEMBL12666549 0.85 RIPK1 (0.60) ALDH1A1HPGDKDM4ELMNATSHR
SCHEMBL2981739 0.85 RIPK1 (0.65) ALDH1A1HPGDRIPK1EPHX2MEN1
SCHEMBL957923 0.84 PKM (0.48) ALDH1A1HPGDKDM4ELMNATSHR
SCHEMBL12279422 0.84 ALDH1A1 (0.44) ALDH1A1HPGDKDM4ELMNATSHR
SCHEMBL1312509 0.84 ALDH1A1 (0.44) ALDH1A1HPGDKDM4ELMNATSHR
SCHEMBL15092712 0.84 PKM (0.48) ALDH1A1HPGDKDM4ELMNATSHR
SCHEMBL12117846 0.84 ALDH1A1 (0.44) ALDH1A1HPGDKDM4ELMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536187-B2 2,4,6-trisubstituted pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2013-09-17 US disclosed
US-20110123493-A1 2,4,6-TRISUBSTITUTED PYRIDO(3,2-d) PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2011-05-26 US disclosed
WO-2010002998-A1 2,4,6-TRISUBSTITUTED PYRIDO (3,2-d) PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2010-01-07 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-20110123493-A1 2,4,6-TRISUBSTITUTED PYRIDO(3,2-d) PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, CYP2S1, DPYD ALDH1A1 732/4885HPGD 245/4885KDM4E 3849/4885

“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.