SCHEMBL29622729

SCHEMBL29622729

CN(C)C(=O)c1cccc(CNc2ncncc2C(N)=O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.58
CYP3A4 P08684 6/20 0.58
HSD17B10 Q99714 6/20 0.58
ALDH1A1 P00352 5/20 0.58
CYP2C19 P33261 5/20 0.58
JAK3 P52333 1/20 0.58
RPS6KB1 P23443 12/20 0.53
AURKA O14965 12/20 0.53
AURKB Q96GD4 4/20 0.53
GLA P06280 1/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
USP2 O75604 2/20 0.47
LMNA P02545 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX12 P18054 1/20 0.47
MEN1 O00255 1/20 0.46

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
SCHEMBL22261244 0.83 JAK3 (0.64) CYP1A2CYP3A4HSD17B10ALDH1A1CYP2C19
SCHEMBL3712006 0.80 RPS6KB1 (0.63) CYP1A2CYP3A4HSD17B10ALDH1A1CYP2C19
SCHEMBL22261365 0.75 JAK3 (0.83) JAK3
SCHEMBL7119744 0.75 KDR (0.62) CYP1A2CYP3A4HSD17B10CYP2C19JAK3
SCHEMBL29622796 0.71 RPS6KB1 (0.64) CYP1A2CYP3A4HSD17B10ALDH1A1CYP2C19
SCHEMBL2695513 0.70 JAK3 (0.73) JAK3
SCHEMBL17790190 0.70 KMT2A (0.49) CYP1A2CYP3A4HSD17B10ALDH1A1CYP2C19
SCHEMBL30340003 0.70 VNN1 (0.60) RPS6KB1AURKAAURKBAKT1
SCHEMBL666653 0.70 RPS6KB1 (1.00) RPS6KB1AURKAAURKB
SCHEMBL2696648 0.70 JAK3 (0.60) CYP1A2CYP3A4HSD17B10ALDH1A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11344549-B2 2-substituted pyrazole amino-4-substituted amino-5-pyrimidine formamide compound, composition, and application thereof BEIJING SCITECH-MQ PHARMACEUTICALS LIMITED (CN) 2022-05-31 US 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-11344549-B2 2-substituted pyrazole amino-4-substituted amino-5-pyrimidine formamide compound, composition, and application thereof JAK1, JAK3, JAK2 CYP1A2 1340/4885CYP3A4 1139/4885HSD17B10 4267/4885

“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.