SCHEMBL29622796

SCHEMBL29622796

Cc1ccccc1CNc1ncncc1C(N)=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 9/20 0.64
AURKA O14965 8/20 0.64
JAK3 P52333 2/20 0.53
JAK2 O60674 1/20 0.53
JAK1 P23458 1/20 0.53
STAT6 P42226 1/20 0.50
CD38 P28907 1/20 0.49
ALDH1A1 P00352 3/20 0.48
CYP1A2 P05177 3/20 0.48
CYP3A4 P08684 3/20 0.48
ALOX15 P16050 3/20 0.48
TSHR P16473 3/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C19 P33261 2/20 0.48
HSD17B10 Q99714 2/20 0.48
KDM4E B2RXH2 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
AURKB Q96GD4 2/20 0.47
PPARG P37231 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL3712006 0.81 RPS6KB1 (0.63) RPS6KB1AURKAJAK3JAK2JAK1
SCHEMBL22261183 0.80 JAK3 (0.58) RPS6KB1AURKAJAK3JAK2JAK1
SCHEMBL666783 0.78 RPS6KB1 (1.00) RPS6KB1AURKAAURKBPDPK1
SCHEMBL30240978 0.77 SYK (0.57) RPS6KB1AURKAALDH1A1CYP1A2CYP3A4
SCHEMBL7119744 0.76 KDR (0.62) RPS6KB1AURKAJAK3JAK2JAK1
SCHEMBL26921635 0.75 AURKA (0.55) RPS6KB1AURKAJAK3JAK2JAK1
SCHEMBL2476571 0.73 CD38 (0.54) RPS6KB1AURKAJAK3JAK2JAK1
SCHEMBL22261088 0.71 JAK3 (0.80) JAK3JAK2JAK1STAT6
SCHEMBL29622729 0.71 CYP1A2 (0.58) RPS6KB1AURKAJAK3ALDH1A1CYP1A2
SCHEMBL22261275 0.71 JAK3 (0.60) RPS6KB1AURKAJAK3JAK2JAK1

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 RPS6KB1 2079/4885AURKA 187/4885JAK3 2/4885

“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.