SCHEMBL4759290

SCHEMBL4759290

Nc1nc2c(s1)C(=O)CC1(CC1)C2

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.67
MAPK1 P28482 2/20 0.51
PIK3CD O00329 8/20 0.47
PIK3CA P42336 8/20 0.47
PIK3CB P42338 8/20 0.47
PIK3CG P48736 8/20 0.47
ATAD2 Q6PL18 1/20 0.46
MAPT P10636 1/20 0.41
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.33
HSD17B10 Q99714 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL16880253 0.93 ALDH1A1 (0.63) ALDH1A1MAPK1PIK3CDPIK3CAPIK3CB
SCHEMBL305618 0.80 ALDH1A1 (1.00) ALDH1A1MAPK1PIK3CDPIK3CAPIK3CB
SCHEMBL7173471 0.73 ALDH1A1 (0.64) ALDH1A1MAPK1PIK3CDPIK3CAPIK3CB
SCHEMBL13125914 0.71 ALDH1A1 (0.78) ALDH1A1MAPK1PIK3CDPIK3CAPIK3CB
SCHEMBL5253114 0.70 ALDH1A1 (0.55) ALDH1A1MAPK1ATAD2MAPT
SCHEMBL170013 0.68 ALDH1A1 (1.00) ALDH1A1MAPK1PIK3CDPIK3CAPIK3CB
SCHEMBL691842 0.68 ALDH1A1 (0.92) ALDH1A1MAPK1PIK3CDPIK3CAPIK3CB
SCHEMBL692363 0.68 ALDH1A1 (0.56) ALDH1A1MAPK1ATAD2MAPT
SCHEMBL4946524 0.67 ALDH1A1 (0.50) ALDH1A1MAPK1PIK3CDPIK3CAPIK3CB
Bromide SCHEMBL3450128 0.67 ALDH1A1 (0.96) ALDH1A1MAPK1PIK3CDPIK3CAPIK3CB

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
US-9243000-B2 Thia-triaza-indacenes BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-26 US disclosed
US-9243000-B2 Thia-triaza-indacenes BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-26 US disclosed
EP-2421872-B1 THIA-TRIAZA-AS-INDACENES AS PI3-KINASES INHIBITORS FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INT (DE) 2015-06-10 EP disclosed
US-20120108618-A1 THIA-TRIAZA-INDACENES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 US disclosed
US-20120108618-A1 THIA-TRIAZA-INDACENES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 US disclosed
WO-2010122091-A1 THIA-TRIAZA-AS-INDACENES AS PI3-KINASES INHIBITORS FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 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-20120108618-A1 THIA-TRIAZA-INDACENES CCNA1, MKI67, CCNT1 ALDH1A1 51/4885MAPK1 1145/4885PIK3CD 3741/4885

“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.