SCHEMBL1813074

SCHEMBL1813074

O=C(Nc1nc2c(s1)CCc1cc(O)ccc1-2)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.63
TP53 P04637 6/20 0.63
SMN1; SMN2 Q16637 5/20 0.63
KMT2A Q03164 7/20 0.61
MEN1 O00255 6/20 0.61
ALDH1A1 P00352 6/20 0.61
RAB9A P51151 4/20 0.61
KDM4E B2RXH2 4/20 0.61
HPGD P15428 4/20 0.61
NPC1 O15118 3/20 0.61
APAF1 O14727 2/20 0.61
LMNA P02545 3/20 0.60
NPSR1 Q6W5P4 2/20 0.60
CYP1A2 P05177 2/20 0.60
CYP3A4 P08684 2/20 0.60
CYP2C9 P11712 2/20 0.60
CYP2C19 P33261 2/20 0.60
POLB P06746 1/20 0.57
DYRK1A Q13627 1/20 0.57
USP2 O75604 1/20 0.56

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
SCHEMBL1814371 0.84 KMT2A (0.56) MAPTTP53SMN1; SMN2KMT2AMEN1
SCHEMBL1816593 0.83 KMT2A (0.60) MAPTTP53SMN1; SMN2KMT2AMEN1
SCHEMBL1822988 0.79 MAPT (0.70) MAPTTP53SMN1; SMN2KMT2AMEN1
SCHEMBL4957325 0.79 MAPT (0.71) MAPTTP53SMN1; SMN2KMT2AMEN1
SCHEMBL4961278 0.78 MAPT (0.60) MAPTTP53SMN1; SMN2KMT2AMEN1
SCHEMBL11971497 0.77 KMT2A (0.55) MAPTTP53SMN1; SMN2KMT2AMEN1
SCHEMBL4963803 0.76 MAPT (0.67) MAPTTP53SMN1; SMN2KMT2AMEN1
SCHEMBL2305783 0.76 POLB (0.61) MAPTTP53SMN1; SMN2KMT2AMEN1
SCHEMBL4960420 0.74 MAPT (0.64) MAPTTP53SMN1; SMN2KMT2AMEN1
SCHEMBL12839735 0.73 TYR (0.45) MAPTTP53SMN1; SMN2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9216972-B2 Tricyclic heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-22 US claimed
US-9216972-B2 Tricyclic heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-22 US disclosed
US-9216972-B2 Tricyclic heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-22 US disclosed
US-9216972-B2 Tricyclic heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-22 US disclosed
CN-102686571-B tricyclic heterocyclic compounds BRISTOL-MYERS SQUIBB CO. (US) 2015-11-25 CN disclosed
EP-2592071-A1 Tricyclic heterocyclic compounds Bristol-Myers Squibb Company (US) 2013-05-15 EP disclosed
EP-2592071-A1 Tricyclic heterocyclic compounds Bristol-Myers Squibb Company (US) 2013-05-15 EP disclosed
EP-2493866-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS Bristol-Myers Squibb Company (US) 2012-09-05 EP disclosed
US-20120214767-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2012-08-23 US disclosed
US-20120214767-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2012-08-23 US disclosed
US-20120214767-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2012-08-23 US disclosed
WO-2011059784-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-19 WO disclosed
WO-2011059784-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-19 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-20120214767-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS S1PR1, S1PR3, TBXA2R MAPT 4716/4885TP53 4036/4885SMN1; SMN2 2787/4885

“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.