SCHEMBL20154977

SCHEMBL20154977

Cn1cc(-c2cnc(Nc3ccc(C#N)nc3)nc2NCCN)cn1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 16/20 0.60
IRAK4 Q9NWZ3 3/20 0.52
TYRO3 Q06418 1/20 0.45

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
SCHEMBL21299941 0.87 CHEK1 (0.49) CHEK1IRAK4TYRO3
SCHEMBL20155272 0.86 CHEK1 (0.60) CHEK1IRAK4
SCHEMBL20155301 0.82 CHEK1 (0.65) CHEK1IRAK4TYRO3
SCHEMBL28382559 0.81 CHEK1 (0.66) CHEK1
SCHEMBL20154989 0.79 CHEK1 (0.62) CHEK1
SCHEMBL20155640 0.76 CHEK1 (0.65) CHEK1TYRO3
SCHEMBL20154919 0.76 CHEK1 (0.65) CHEK1TYRO3
SCHEMBL20154918 0.76 CHEK1 (0.65) CHEK1TYRO3
SCHEMBL28383015 0.75 CHEK1 (1.00) CHEK1
SCHEMBL20155618 0.73 IRAK4 (0.56) CHEK1IRAK4TYRO3

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 839/4885TYRO3 719/4885

“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.