SCHEMBL4903351

SCHEMBL4903351

Nc1ncnc2c1sc1nc(-c3ccccc3)cc(C(F)(F)F)c12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 6/20 0.64
DBF4 Q9UBU7 5/20 0.64
LIMK1 P53667 6/20 0.59
ADORA3 P0DMS8 1/20 0.53
ADORA2A P29274 1/20 0.53
ADORA1 P30542 1/20 0.53
HPGD P15428 2/20 0.51
THRB P10828 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ACHE P22303 3/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 2/20 0.49
CLK1 P49759 2/20 0.49
PLK4 O00444 2/20 0.46
AURKA O14965 2/20 0.46
ROCK2 O75116 2/20 0.46
PIM1 P11309 2/20 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
SCHEMBL4893147 0.87 MAPT (0.66) CDC7DBF4LIMK1ADORA3ADORA2A
SCHEMBL4899965 0.86 CDC7 (0.58) CDC7DBF4LIMK1HPGDACHE
SCHEMBL4899938 0.84 LIMK1 (0.66) CDC7DBF4LIMK1HPGDKMT2A
SCHEMBL259291 0.82 CDC7 (0.66) CDC7DBF4LIMK1HPGDKMT2A
SCHEMBL4900157 0.81 HPGD (0.62) CDC7DBF4LIMK1ADORA2AADORA1
SCHEMBL4893099 0.79 CDC7 (0.69) CDC7DBF4LIMK1HPGDALDH1A1
SCHEMBL4899880 0.78 KDM4E (0.62) CDC7DBF4LIMK1ADORA2AADORA1
SCHEMBL12969722 0.78 CDC7 (1.00) CDC7DBF4LIMK1HPGDALDH1A1
SCHEMBL4899003 0.76 MEN1 (0.59) CDC7DBF4LIMK1ADORA3ADORA2A
SCHEMBL4902783 0.76 PPARG (0.64) CDC7DBF4LIMK1HPGDACHE

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
WO-2012131297-A1 PYRIDO [3',2' :4,5] THIENO [3, 2-D] PYRIMIDIN- 4 - YLAMINE DERIVATIVES AND THEIR THERAPEUTICAL USE BAELL JONATHAN BAYLDON (AU) 2012-10-04 WO disclosed
US-20080008720-A1 Substituted Tricyclic Heterocycles and their Uses CYWIN CHARLES L 2008-01-10 US disclosed
US-7291733-B2 Substituted tricyclic heterocycles and their uses BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-11-06 US disclosed
EP-1673374-A2 SUBSTITUTED TRICYCLIC HETEROCYCLES AND THEIR USES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-06-28 EP disclosed
US-20050101601-A1 Substituted tricyclic heterocycles and their uses BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-05-12 US disclosed
WO-2005035537-A2 SUBSTITUTED TRICYCLIC HETEROCYCLES AND THEIR USES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-04-21 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 (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-20050101601-A1 Substituted tricyclic heterocycles and their uses LTC4S, NQO1, CBR3 CDC7 1740/4885DBF4 2118/4885LIMK1 4013/4885
US-20080008720-A1 Substituted Tricyclic Heterocycles and their Uses LTC4S, NQO1, CBR3 CDC7 1740/4885DBF4 2118/4885LIMK1 4013/4885

“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.