SCHEMBL20155301

SCHEMBL20155301

Cn1cc(-c2cnc(Nc3ccc(C#N)nc3)nc2NCC2CCNCC2)cn1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 14/20 0.65
IRAK4 Q9NWZ3 3/20 0.56
IRAK1 P51617 2/20 0.56
TYRO3 Q06418 2/20 0.56
AXL P30530 1/20 0.50
MERTK Q12866 1/20 0.50
PRKCQ Q04759 1/20 0.48
CHEK2 O96017 1/20 0.48
LCK P06239 1/20 0.48
LYN P07948 1/20 0.48
PIM1 P11309 1/20 0.48
RPS6KB1 P23443 1/20 0.48
FLT3 P36888 1/20 0.48
BLK P51451 1/20 0.48
PRKAG1 P54619 1/20 0.48
PRKAA1 Q13131 1/20 0.48
PIM3 Q86V86 1/20 0.48
PRKAB1 Q9Y478 1/20 0.48

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
SCHEMBL20154886 0.87 CHEK1 (0.70) CHEK1PRKCQFLT3
SCHEMBL24158266 0.84 CHEK1 (0.64) CHEK1IRAK4IRAK1PRKCQFLT3
SCHEMBL20155271 0.82 CHEK1 (0.66) CHEK1PRKCQFLT3
SCHEMBL20154977 0.82 CHEK1 (0.60) CHEK1IRAK4TYRO3
SCHEMBL20155640 0.81 CHEK1 (0.65) CHEK1TYRO3AXLMERTKCHEK2
SCHEMBL20154919 0.81 CHEK1 (0.65) CHEK1TYRO3AXLMERTKCHEK2
SCHEMBL20154918 0.81 CHEK1 (0.65) CHEK1TYRO3AXLMERTKCHEK2
SCHEMBL21299941 0.79 CHEK1 (0.49) CHEK1IRAK4IRAK1TYRO3
SCHEMBL20155272 0.78 CHEK1 (0.60) CHEK1IRAK4IRAK1
SCHEMBL20154994 0.75 CHEK1 (0.60) CHEK1PRKCQCHEK2FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3530656-B1 2-SUBSTITUTED AROMATIC RING-PYRIMIDINE DERIVATIVE, AND PREPARATION AND APPLICATION THEREOF UNIV ZHEJIANG (CN) 2022-01-05 EP disclosed
US-10822327-B2 2-substituted aromatic ring-pyrimidine derivative and preparation and application thereof ZHEJIANG UNIVERSITY (CN) 2020-11-03 US disclosed
EP-3530656-A1 2-SUBSTITUTED AROMATIC RING-PYRIMIDINE DERIVATIVE, AND PREPARATION AND APPLICATION THEREOF Zhejiang University (CN) 2019-08-28 EP disclosed
WO-2018086547-A1 2-SUBSTITUTED AROMATIC RING-PYRIMIDINE DERIVATIVE, AND PREPARATION AND APPLICATION THEREOF 浙江大学 2018-05-17 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-10822327-B2 2-substituted aromatic ring-pyrimidine derivative and preparation and application thereof CHEK1, CHEK2, PLK1 CHEK1 1/4885IRAK4 839/4885IRAK1 679/4885

“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.