SCHEMBL30897429

SCHEMBL30897429

NC(=O)c1cnn2cc(-c3ccn[nH]3)sc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
HPGDS O60760 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.35
BTK Q06187 3/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
CFTR P13569 2/20 0.33
ATR Q13535 1/20 0.33

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
SCHEMBL29760263 0.78 CDC7 (0.43) JAK2JAK1TYK2JAK3IRAK4
SCHEMBL29759991 0.76 MKNK1 (0.46) JAK2JAK1TYK2JAK3LMNA
SCHEMBL30566450 0.76 MKNK1 (0.46) JAK2JAK1TYK2JAK3LMNA
SCHEMBL24578221 0.75 RIPK2 (0.33) JAK2JAK1TYK2JAK3RIPK2
SCHEMBL30566447 0.75 JAK2 (0.32) JAK2JAK1TYK2JAK3RIPK2
SCHEMBL30566591 0.75 KDM4E (0.43) JAK2JAK3KDM4ENPC1ALDH1A1
SCHEMBL24576965 0.75 CHEK1 (0.37) JAK2JAK1TYK2JAK3CHEK1
SCHEMBL29759773 0.74 JAK1 (0.40) JAK2JAK1TYK2JAK3RIPK2
Hydrochloric Acid SCHEMBL29759885 0.74 CHEK1 (0.37) JAK2JAK1TYK2JAK3CHEK1
SCHEMBL30566539 0.73 TGFBR1 (0.39) JAK1TYK2JAK3KDM4EIRAK4

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-20240109917-A1 PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2024-04-04 US claimed

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-20240109917-A1 PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS PDGFRA, PDGFRB, ABL1 JAK2 9/4885JAK1 42/4885TYK2 98/4885

“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.