SCHEMBL25983974

SCHEMBL25983974

Cc1ccc(N)cc1-c1cc(-c2ccnc3[nH]ccc23)cnn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NUDT1 P36639 3/20 0.48
▸ PIK3C3 Q8NEB9 1/20 0.44
▸ IKBKB O14920 5/20 0.44
▸ CHUK O15111 5/20 0.44
▸ AURKB Q96GD4 3/20 0.44
▸ DAPK3 O43293 1/20 0.44
▸ JAK2 O60674 1/20 0.44
▸ PRKD3 O94806 1/20 0.44
▸ MAP4K4 O95819 1/20 0.44
▸ PAK4 O96013 1/20 0.44
▸ CSF1R P07333 1/20 0.44
▸ RET P07949 1/20 0.44
▸ IGF1R P08069 1/20 0.44
▸ FGFR1 P11362 1/20 0.44
▸ PRKACA P17612 1/20 0.44
▸ FLT1 P17948 1/20 0.44
▸ LTK P29376 1/20 0.44
▸ GRK5 P34947 1/20 0.44
▸ KDR P35968 1/20 0.44
▸ MAP2K2 P36507 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
SCHEMBL856991 0.78 PRKCI (0.57) NUDT1IKBKBCHUKAURKBDAPK3
SCHEMBL4792517 0.72 IKBKB (0.70) NUDT1IKBKBCHUKAURKBDAPK3
SCHEMBL1717710 0.71 PRKCI (0.61) NUDT1IKBKBCHUKAURKBDAPK3
SCHEMBL857132 0.71 IKBKB (0.63) NUDT1PIK3C3IKBKBCHUKAURKB
SCHEMBL25595213 0.70 PIK3C3 (0.38) PIK3C3JAK2CSF1RKDR
SCHEMBL1718599 0.70 NUDT1 (0.69) NUDT1IKBKBCHUKAURKBDAPK3
SCHEMBL26953277 0.69 NUDT1 (0.58) NUDT1PIK3C3IKBKBCHUKAURKB
SCHEMBL31734996 0.69 NUDT1 (0.58) NUDT1PIK3C3IKBKBCHUKAURKB
SCHEMBL10125124 0.69 AURKB (0.51) NUDT1PIK3C3IKBKBCHUKAURKB
SCHEMBL25595216 0.68 PIK3C3 (0.48) PIK3C3MAP2K1CLK4CIT

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-20230257352-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-08-17 — — US disclosed
US-20230257352-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-08-17 — — 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-20230257352-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF NUDT1 1265/4885PIK3C3 40/4885IKBKB 488/4885

“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.

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