SCHEMBL17152811

SCHEMBL17152811

OCc1cc(Nc2nccc(-c3ccc(Cl)nc3)n2)ccc1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 5/20 0.49
CCNA2 P20248 5/20 0.49
CDK2 P24941 5/20 0.49
CDK9 P50750 5/20 0.49
CCNA1 P78396 5/20 0.49
PTK6 Q13882 1/20 0.44
CAMK2D Q13557 2/20 0.43
SYK P43405 3/20 0.42
MAPK8 P45983 3/20 0.42
PIK3CG P48736 2/20 0.42
GSK3B P49841 2/20 0.42
CAMKK2 Q96RR4 2/20 0.42
PRKCA P17252 3/20 0.41
ABL1 P00519 2/20 0.41
PRKCD Q05655 2/20 0.41
JAK2 O60674 2/20 0.41
JAK3 P52333 1/20 0.41
BCR P11274 1/20 0.41
EGFR P00533 1/20 0.41
IKBKB O14920 1/20 0.41

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
SCHEMBL12921620 0.85 PIK3CA (0.51) CCNT1CDK2CDK9PIK3CGPRKCA
SCHEMBL17152800 0.82 PIK3CG (0.48) CDK2CAMK2DMAPK8PIK3CGGSK3B
SCHEMBL17152799 0.80 ABL1 (0.55) CCNT1CCNA2CDK2CDK9CAMK2D
SCHEMBL17152975 0.78 CCNT1 (0.43) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL17153250 0.76 ABL1 (0.48) CCNT1CCNA2CDK2CDK9CAMK2D
SCHEMBL6957358 0.75 PIK3CG (0.60) CDK2PIK3CGGSK3BPRKCAABL1
SCHEMBL17152807 0.74 ABL1 (0.46) CDK2CAMK2DPIK3CGPRKCAABL1
SCHEMBL3510842 0.72 ABL1 (0.75) CCNT1CCNA2CDK2CDK9CAMK2D
SCHEMBL17153131 0.71 ABL1 (0.47) CAMK2DPIK3CGPRKCAABL1PRKCD
SCHEMBL12801295 0.70 IKBKB (0.50) CCNT1CCNA2CDK2CDK9CCNA1

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
US-10017509-B2 Macrocylic pyrimidine derivatives JANSSEN PHARMACEUTICA NV (BE) 2018-07-10 US disclosed
US-10017509-B2 Macrocylic pyrimidine derivatives JANSSEN PHARMACEUTICA NV (BE) 2018-07-10 US disclosed
EP-3126364-B1 MACROCYLIC PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2018-02-07 EP disclosed
US-20170022202-A1 MACROCYLIC PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2017-01-26 US disclosed
WO-2015150555-A1 MACROCYLIC PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2015-10-08 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-20170022202-A1 MACROCYLIC PYRIMIDINE DERIVATIVES EEF2K, VPS26B, VPS28 CCNT1 1703/4885CCNA2 925/4885CDK2 227/4885
US-10017509-B2 Macrocylic pyrimidine derivatives EEF2K, VPS26B, VPS28 CCNT1 1703/4885CCNA2 925/4885CDK2 227/4885

“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.