SCHEMBL16475301

SCHEMBL16475301

Cc1cnc(-c2ccccc2)c2c(N)n[nH]c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 12/20 0.51
▸ NFKB1 P19838 1/20 0.47
▸ NFKB2 Q00653 1/20 0.47
▸ RELA Q04206 1/20 0.47
▸ JAK1 P23458 1/20 0.45
▸ TYK2 P29597 1/20 0.45
▸ JAK3 P52333 1/20 0.45
▸ AKT2 P31751 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ MAP4K4 O95819 1/20 0.43
▸ CSF1R P07333 1/20 0.43
▸ FGFR1 P11362 1/20 0.43
▸ PDGFRA P16234 1/20 0.43
▸ LTK P29376 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ MAPK8 P45983 1/20 0.43
▸ CSNK1A1 P48729 1/20 0.43
▸ LIMK1 P53667 1/20 0.43
▸ CDK5 Q00535 1/20 0.43
▸ ACVR1 Q04771 1/20 0.43

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
SCHEMBL6116076 0.88 BTK (0.68) BTK
SCHEMBL16475296 0.78 BTK (0.45) BTKJAK1TYK2JAK3AKT2
SCHEMBL8402401 0.74 BTK (0.77) BTKMAP4K4CSF1RFGFR1PDGFRA
SCHEMBL16475299 0.73 BTK (0.41) BTKJAK1TYK2JAK3AKT2
SCHEMBL6116208 0.72 BTK (0.64) BTKTNK2
SCHEMBL16475300 0.72 BTK (0.43) BTKJAK1TYK2JAK3MAP4K4
SCHEMBL11745813 0.69 KDR (0.42) BTKJAK1TYK2JAK3AKT2
SCHEMBL1162679 0.69 BTK (0.87) BTK
SCHEMBL6116588 0.69 BTK (0.50) BTKNFKB1NFKB2RELAJAK1
SCHEMBL8401927 0.68 BTK (0.80) BTKTNK2

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-20140107151-A1 TYROSINE KINASE INHIBITORS Principia Biophama Inc. (US) 2014-04-17 — — 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-20140107151-A1 TYROSINE KINASE INHIBITORS BMX, BLK, ITK BTK 4/4885NFKB1 1352/4885NFKB2 1025/4885

“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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