SCHEMBL3159012

SCHEMBL3159012

CCOC(=O)c1cc(C)n(-c2cccc(N)c2)n1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 3/20 0.49
TP53 P04637 3/20 0.48
THRB P10828 1/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 3/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CA9 Q16790 1/20 0.47
CYP1A2 P05177 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL3299372 0.85 KMT2A (0.68) KMT2AGAAMAPTTP53THRB
SCHEMBL3831470 0.85 KMT2A (0.52) KMT2AGAAMAPTTP53THRB
SCHEMBL20502190 0.84 KMT2A (0.60) KMT2AGAAMAPTTP53THRB
SCHEMBL3146601 0.81 PDE4B (0.67) KMT2AGAAMAPTHTTALDH1A1
SCHEMBL18865628 0.81 CA9 (0.50) KMT2AGAAMAPTTP53THRB
SCHEMBL22637367 0.80 KMT2A (0.64) KMT2AGAAMAPTTP53THRB
SCHEMBL1740575 0.80 KDM4E (0.57) KMT2AGAAMAPTTP53ALDH1A1
SCHEMBL20028497 0.79 KMT2A (0.53) KMT2AGAAMAPTTP53THRB
SCHEMBL17293064 0.79 GABRA2 (0.53) KMT2AGAAMAPTTP53LMNA
SCHEMBL6070211 0.79 PDE4D (0.73) MAPTALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1751113-B1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2010-03-10 EP disclosed
US-7674828-B2 Urea antagonists of P2Y1receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-09 US disclosed
US-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB COMPANY (US) 2008-11-13 US disclosed
US-7388021-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL MYERS SQUIBB COMPANY (US) 2008-06-17 US disclosed
EP-1751113-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS Bristol-Myers Squibb Pharma Company (US) 2007-02-14 EP disclosed
WO-2005113511-A9 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2006-02-02 WO disclosed
US-20050267119-A1 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY 2005-12-01 US disclosed
WO-2005113511-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-01 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 (2 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-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS P2RY1, P2RY11, P2RY2 KMT2A 4568/4885GAA 2095/4885MAPT 3475/4885
US-20050267119-A1 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions P2RY1, P2RY11, P2RY2 KMT2A 4568/4885GAA 2095/4885MAPT 3475/4885

“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.