SCHEMBL3569508

SCHEMBL3569508

CC(C)NC(=O)[C@H]1CCC[C@H]1Nc1nc(Nc2cccc(CN3CCOCC3)c2)ncc1Br

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 7/20 0.54
NUAK1 O60285 2/20 0.54
NTRK1 P04629 2/20 0.54
CSF1R P07333 2/20 0.54
TYK2 P29597 2/20 0.54
STK16 O75716 1/20 0.54
CSNK2A2 P19784 1/20 0.54
AAK1 Q2M2I8 1/20 0.54
ULK3 Q6PHR2 1/20 0.54
BMP2K Q9NSY1 1/20 0.54
MARK3 P27448 3/20 0.53
MARK4 Q96L34 3/20 0.53
STK17A Q9UEE5 3/20 0.53
ULK2 Q8IYT8 3/20 0.53
ULK1 O75385 2/20 0.53
IKBKE Q14164 2/20 0.53
PRKAA2 P54646 1/20 0.53
SIK1 P57059 1/20 0.53
PRKAA1 Q13131 1/20 0.53
MELK Q14680 1/20 0.53

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
SCHEMBL13313535 0.94 IGF1R (0.48) TBK1NUAK1NTRK1CSF1RTYK2
SCHEMBL3568807 0.83 IGF1R (0.45) TBK1MARK3MARK4STK17AIGF1R
SCHEMBL13313533 0.80 SYK (0.50) ULK1EGFRAURKA
SCHEMBL13313552 0.79 TBK1 (0.43) TBK1NUAK1NTRK1TYK2STK16
SCHEMBL13313551 0.79 IGF1R (0.42) TBK1MARK3MARK4STK17AIGF1R
SCHEMBL13313555 0.77 AURKB (0.44) IGF1RBRD4KDRAURKA
SCHEMBL3576521 0.76 TBK1 (0.49) TBK1IGF1RCDK1KDRCDK2
SCHEMBL4196715 0.75 INSR (0.41) TBK1MARK3MARK4STK17AIGF1R
SCHEMBL12235687 0.74 IGF1R (0.57) TBK1NTRK1IGF1RCDK1CDK2
SCHEMBL4195275 0.74 INSR (0.40) TBK1MARK3MARK4STK17ASIK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2109605-B1 2- [(PHENYLAMINO) -PYRIMIDIN-4YLAMIN0] -CYCLOPENTANE CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF KINASES OF THE CELL CYCLE FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INT (DE) 2013-02-20 EP disclosed
US-20100144706-A1 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-10 US disclosed
US-20100144706-A1 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-10 US disclosed
US-20100144706-A1 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-10 US disclosed
WO-2008077885-A2 2- [(PHENYLAMINO) -PYRIMIDIN-4YLAMIN0] -CYCLOPENTANE CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF KINASES OF THE CELL CYCLE FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-03 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-20100144706-A1 Compounds MKI67, CCNA1, CCNT1 TBK1 3976/4885NUAK1 1692/4885NTRK1 3837/4885

“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.