SCHEMBL12922972

SCHEMBL12922972

Cc1ccc(Nc2nccc(C(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.71
▸ KDR P35968 15/20 0.65
▸ KIT P10721 9/20 0.65
▸ PDGFRA P16234 9/20 0.65
▸ FLT1 P17948 4/20 0.65
▸ FLT4 P35916 4/20 0.65
▸ ABCB11 O95342 2/20 0.65
▸ CYP3A4 P08684 2/20 0.65
▸ CYP2D6 P10635 2/20 0.65
▸ CYP2C9 P11712 2/20 0.65
▸ CYP2C19 P33261 2/20 0.65
▸ STK16 O75716 2/20 0.65
▸ CSF1R P07333 2/20 0.65
▸ MAP3K11 Q16584 2/20 0.65
▸ TAOK2 Q9UL54 2/20 0.65
▸ BMPR1B O00238 1/20 0.65
▸ PLK4 O00444 1/20 0.65
▸ AURKA O14965 1/20 0.65
▸ GAK O14976 1/20 0.65
▸ EPHB6 O15197 1/20 0.65

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
SCHEMBL12575010 0.83 BTK (1.00) BTKKDRKITPDGFRAFLT1
SCHEMBL29884143 0.81 BTK (0.73) BTKKDRKITPDGFRAFLT1
SCHEMBL28843997 0.81 BTK (0.73) BTKKDRKITPDGFRAFLT1
Pazopanib SCHEMBL588608 0.79 KDR (1.00) BTKKDRKITPDGFRAFLT1
Pazopanib SCHEMBL29392503 0.79 KDR (1.00) BTKKDRKITPDGFRAFLT1
SCHEMBL4991594 0.79 BTK (0.71) BTKKDRKITPDGFRAFLT1
Pazopanib SCHEMBL29386934 0.78 KDR (0.98) BTKKDRKITPDGFRAFLT1
Pazopanib SCHEMBL159487 0.78 KDR (0.98) BTKKDRKITPDGFRAFLT1
Pazopanib SCHEMBL29520402 0.78 KDR (0.98) BTKKDRKITPDGFRAFLT1
SCHEMBL724300 0.78 BTK (0.79) BTKKDRKITPDGFRAFLT1

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-8349861-B2 Methods for identification of JAK kinase interacting molecules and for the purification of JAK kinases CELLZOME AG (DE) 2013-01-08 — — US disclosed
US-20110039718-A1 METHODS FOR IDENTIFICATION OF JAK KINASE INTERACTING MOLECULES AND FOR THE PURIFICATION OF JAK KINASES CELLZOME AG (DE) 2011-02-17 — — 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-20110039718-A1 METHODS FOR IDENTIFICATION OF JAK KINASE INTERACTING MOLECULES AND FOR THE PURIFICATION OF JAK KINASES JAK2, JAK3, JAK1 BTK 25/4885KDR 1021/4885KIT 715/4885

“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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