SCHEMBL1780630

SCHEMBL1780630

Cn1c(=O)[nH]nc(N2CCN(Cc3ccccc3C(F)(F)F)CC2)c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 1/20 0.54
▸ PARP1 P09874 1/20 0.54
▸ TNKS2 Q9H2K2 1/20 0.54
▸ ALDH1A1 P00352 10/20 0.53
▸ KDM4E B2RXH2 9/20 0.53
▸ POLB P06746 1/20 0.53
▸ NPSR1 Q6W5P4 3/20 0.52
▸ ATM Q13315 3/20 0.51
▸ TDP1 Q9NUW8 5/20 0.50
▸ GAA P10253 2/20 0.50
▸ KMT2A Q03164 5/20 0.49
▸ MEN1 O00255 4/20 0.48
▸ SCD O00767 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ HPGD P15428 1/20 0.45
▸ HSD11B1 P28845 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
SCHEMBL1783749 0.86 GPR183 (0.46) TNKSPARP1TNKS2ALDH1A1KDM4E
SCHEMBL1780837 0.85 ALDH1A1 (0.54) TNKSPARP1TNKS2ALDH1A1KDM4E
SCHEMBL1922999 0.85 EPHX2 (0.49) TNKSPARP1TNKS2ALDH1A1KDM4E
SCHEMBL1784809 0.79 ALDH1A1 (0.47) TNKSPARP1TNKS2ALDH1A1KDM4E
SCHEMBL1781911 0.78 ALDH1A1 (0.47) TNKSPARP1TNKS2ALDH1A1KDM4E
SCHEMBL1780928 0.78 SCD (0.53) SCDHSD11B1
SCHEMBL1923319 0.77 GPR183 (0.47) ALDH1A1KDM4EPOLBTDP1KMT2A
SCHEMBL1923577 0.76 TNKS (0.45) TNKSPARP1TNKS2ALDH1A1KDM4E
SCHEMBL1780668 0.75 SCD (0.65) SCD
SCHEMBL14318329 0.74 ALDH1A1 (0.88) ALDH1A1KDM4EPOLBNPSR1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2328886-B1 DERIVATIVES OF TRIAZINES AND URACILS, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPEUTICS PF MEDICAMENT (FR) 2016-12-28 — — EP claimed
US-20110118266-A1 DERIVATIVES OF TRIAZINES AND URACILS, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPEUTICS PIERRE FABRE MEDICAMENT (FR) 2011-05-19 — — US claimed
EP-2328886-B1 DERIVATIVES OF TRIAZINES AND URACILS, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPEUTICS PF MEDICAMENT (FR) 2016-12-28 — — EP disclosed
US-8618287-B2 Derivatives of triazines and uracils, their preparation and their application in human therapeutics PIERRE FABRE MEDICAMENT (FR) 2013-12-31 — — US disclosed
EP-2328886-A1 DERIVATIVES OF TRIAZINES AND URACILS, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPEUTICS Pierre Fabre Médicament (FR) 2011-06-08 — — EP disclosed
US-20110118266-A1 DERIVATIVES OF TRIAZINES AND URACILS, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPEUTICS PIERRE FABRE MEDICAMENT (FR) 2011-05-19 — — US disclosed
US-20110118266-A1 DERIVATIVES OF TRIAZINES AND URACILS, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPEUTICS PIERRE FABRE MEDICAMENT (FR) 2011-05-19 — — US disclosed
US-20110118266-A1 DERIVATIVES OF TRIAZINES AND URACILS, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPEUTICS PIERRE FABRE MEDICAMENT (FR) 2011-05-19 — — US disclosed
WO-2010006962-A1 DERIVATIVES OF TRIAZINES AND URACILS, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPEUTICS PIERRE FABRE MEDICAMENT (FR) 2010-01-21 — — WO disclosed
WO-2010006962-A1 DERIVATIVES OF TRIAZINES AND URACILS, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPEUTICS PIERRE FABRE MEDICAMENT (FR) 2010-01-21 — — 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-20110118266-A1 DERIVATIVES OF TRIAZINES AND URACILS, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPEUTICS UNG, TYMS, UMPS TNKS 117/4885PARP1 58/4885TNKS2 264/4885

“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.

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