SCHEMBL15826973

SCHEMBL15826973

CCC(=O)NCn1nc(-c2ccccc2)c2c(N)ncnc21

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 6/20 0.57
▸ SRC P12931 8/20 0.53
▸ EGFR P00533 4/20 0.52
▸ BTK Q06187 2/20 0.52
▸ LCK P06239 1/20 0.52
▸ JAK3 P52333 1/20 0.52
▸ ITK Q08881 1/20 0.52
▸ PIK3CD O00329 2/20 0.51
▸ PRKDC P78527 2/20 0.51
▸ ABL1 P00519 1/20 0.51
▸ MAP2K5 Q13163 1/20 0.50
▸ PIK3CA P42336 1/20 0.50
▸ PIK3CB P42338 1/20 0.50
▸ PIK3CG P48736 1/20 0.50

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
SCHEMBL15826974 0.84 FYN (0.54) FYNSRCEGFRBTKLCK
SCHEMBL17320669 0.81 BTK (0.58) FYNSRCEGFRBTKLCK
SCHEMBL15826968 0.81 PIK3CD (0.73) FYNSRCEGFRBTKPIK3CD
SCHEMBL14471386 0.80 PIK3CD (0.63) FYNSRCEGFRBTKPIK3CD
SCHEMBL13183365 0.79 SRC (0.57) FYNSRCEGFRBTKLCK
SCHEMBL14471387 0.78 SRC (0.64) FYNSRCEGFRBTKLCK
SCHEMBL14471393 0.78 SRC (0.73) FYNSRCEGFRBTKLCK
SCHEMBL15826975 0.77 FYN (0.68) FYNSRCEGFRBTKPIK3CD
SCHEMBL14472337 0.77 HDAC1 (0.52) FYNSRCEGFRBTKLCK
SCHEMBL14086355 0.76 SRC (0.66) FYNSRCEGFRPIK3CDPRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160045503-A1 FORMULATIONS CONTAINING REVERSIBLE COVALENT COMPOUNDS PRINCIPIA BIOPHARMA INC. 2016-02-18 — — US disclosed
US-20150353562-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2015-12-10 — — US disclosed
US-20150353557-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2015-12-10 — — US disclosed
US-8962831-B2 Tyrosine kinase inhibitors PRINCIPIA BIOPHARMA INC. (US) 2015-02-24 — — US disclosed
US-8962635-B2 Tyrosine kinase inhibitors PRINCIPIA BIOPHARMA INC. (US) 2015-02-24 — — US disclosed
US-20140303190-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2014-10-09 — — US disclosed
US-8759358-B1 Tyrosine kinase inhibitors PRINCIPIA BIOPHARMA INC. (US) 2014-06-24 — — 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 (4 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-20150353557-A1 TYROSINE KINASE INHIBITORS BMX, ITK, BLK FYN 28/4885SRC 18/4885EGFR 21/4885
US-20150353562-A1 TYROSINE KINASE INHIBITORS BMX, ITK, BLK FYN 28/4885SRC 18/4885EGFR 21/4885
US-20160045503-A1 FORMULATIONS CONTAINING REVERSIBLE COVALENT COMPOUNDS PTMS, SSB, HDAC6 FYN 891/4885SRC 1547/4885EGFR 3358/4885
US-20140303190-A1 TYROSINE KINASE INHIBITORS BMX, ITK, BLK FYN 28/4885SRC 18/4885EGFR 21/4885

“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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