SCHEMBL20154924

SCHEMBL20154924

Cc1csc(-c2cnc(Nc3ccc(C#N)nc3)nc2NC2CCN(C(=O)OC(C)(C)C)CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 5/20 0.44
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYRO3 Q06418 2/20 0.43
GPR119 Q8TDV5 3/20 0.43
ALDH1A1 P00352 1/20 0.43
MERTK Q12866 1/20 0.42
IRAK4 Q9NWZ3 3/20 0.42
NSD2 O96028 1/20 0.42
CCND3 P30281 2/20 0.42
CCNK O75909 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CDK9 P50750 1/20 0.42
CDK6 Q00534 1/20 0.42
SYK P43405 1/20 0.41
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
CCND2 P30279 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
SCHEMBL20154930 0.85 IGF1R (0.51) CHEK1JAK2JAK1GPR119ALDH1A1
SCHEMBL20154983 0.81 CHEK1 (0.63) CHEK1TYRO3MERTKIRAK4
SCHEMBL15974468 0.72 GPR119 (0.52) JAK2TYRO3GPR119ALDH1A1CCND3
SCHEMBL15974487 0.71 GPR119 (0.51) JAK2TYRO3GPR119ALDH1A1CCND3
SCHEMBL26918653 0.70 NSD2 (0.52) JAK1GPR119ALDH1A1IRAK4NSD2
SCHEMBL4067722 0.69 SYK (0.58) TYRO3GPR119MERTKCCND3CCNK
SCHEMBL16976307 0.69 ALDH1A1 (0.65) JAK1GPR119ALDH1A1
SCHEMBL30874475 0.69 CTSK (0.55) GPR119ALDH1A1IRAK4NSD2
SCHEMBL27227572 0.69 CTSK (0.55) GPR119ALDH1A1IRAK4NSD2
SCHEMBL26671770 0.69 NSD2 (0.51) GPR119ALDH1A1IRAK4NSD2

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 1/4885JAK2 325/4885JAK1 237/4885

“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.