SCHEMBL31300242

SCHEMBL31300242

Cc1cccc(Nc2cc(N)ncn2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
GRM5 P41594 7/20 0.48
NOS3 P29474 1/20 0.46
NOS2 P35228 1/20 0.46
KDR P35968 1/20 0.46
JAK2 O60674 3/20 0.43
JAK1 P23458 2/20 0.43
TYK2 P29597 2/20 0.43
JAK3 P52333 2/20 0.43
MAP4K4 O95819 1/20 0.43
GSK3B P49841 1/20 0.43
ASIC3 Q9UHC3 2/20 0.43
EGFR P00533 1/20 0.43
ERBB3 P21860 1/20 0.43
RAB9A P51151 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNA2 P20248 1/20 0.42

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
SCHEMBL31247375 1.00 HTT (0.50) HTTGRM5NOS3NOS2KDR
SCHEMBL12310579 0.82 THRB (0.48) HTTGRM5NOS3NOS2KDR
SCHEMBL31247545 0.82 EGFR (0.52) HTTGRM5JAK2JAK1TYK2
SCHEMBL1704424 0.80 EGFR (0.66) GRM5KDRJAK2TYK2EGFR
SCHEMBL229747 0.80 RAB9A (0.59) GRM5KDRASIC3RAB9AMEN1
SCHEMBL27625398 0.75 TGFBR1 (0.53) HTTGRM5KDRASIC3RAB9A
SCHEMBL31247774 0.74 GRM5 (0.84) HTTGRM5ASIC3EGFRERBB3
SCHEMBL8798667 0.73 EGFR (0.61) HTTEGFRRAB9ACDK1CCNB1
SCHEMBL31247663 0.73 JAK2 (0.52) GRM5JAK2JAK1TYK2JAK3
SCHEMBL12388692 0.73 EGFR (0.40) NOS3NOS2TYK2MAP4K4EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12358904-B2 Inhibitors of TYK2 Atomwise Inc. (US) 2025-07-15 US disclosed
US-20240417396-A1 INHIBITORS OF TYK2 Atomwise Inc. 2024-12-19 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 (2 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-20240417396-A1 INHIBITORS OF TYK2 TYK2, LCK, JAK2 HTT 588/4885GRM5 2396/4885NOS3 4287/4885
US-12358904-B2 Inhibitors of TYK2 TYK2, LCK, JAK2 HTT 588/4885GRM5 2396/4885NOS3 4287/4885

“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.