SCHEMBL20154917

SCHEMBL20154917

N#Cc1ccc(Nc2ncc(-c3ccccc3NC3CCNCC3)cn2)cn1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 15/20 0.63
CTSL P07711 3/20 0.43
CTSB P07858 3/20 0.43
CTSS P25774 3/20 0.43
CTSK P43235 3/20 0.43
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
MERTK Q12866 1/20 0.40

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
SCHEMBL20154994 0.86 CHEK1 (0.60) CHEK1
SCHEMBL21299912 0.84 TYRO3 (0.46) CHEK1JAK2JAK1TYK2JAK3
SCHEMBL20155220 0.81 CHEK1 (0.54) CHEK1
SCHEMBL21299958 0.78 CHEK1 (0.56) CHEK1
SCHEMBL28823771 0.77 CHEK1 (0.60) CHEK1CTSLCTSBCTSSCTSK
SCHEMBL22617554 0.77 CHEK1 (0.55) CHEK1
Hydrochloric Acid SCHEMBL23302465 0.76 CHEK1 (0.58) CHEK1CTSLCTSBCTSSCTSK
SCHEMBL20154981 0.76 CHEK1 (0.74) CHEK1CTSLCTSBCTSSCTSK
SCHEMBL21299939 0.75 CHEK1 (0.73) CHEK1CTSLCTSBCTSSCTSK
SCHEMBL20154920 0.74 CHEK1 (0.69) CHEK1

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 1/4885CTSL 3635/4885CTSB 4345/4885

“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.