Sugi Predict

Sugi Predict / Compounds / SCHEMBL15517441

SCHEMBL15517441

SCHEMBL15517441

Nc1ncnc2c1c(-c1ccc(Oc3cc(F)cc(F)c3)cc1)nn2C[C@H]1CCCN1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 6/20 0.63
▸ HCK P08631 5/20 0.63
▸ EGFR P00533 4/20 0.63
▸ ABL1 P00519 3/20 0.63
▸ PIK3CD O00329 2/20 0.63
▸ KDR P35968 2/20 0.63
▸ PIK3CA P42336 2/20 0.63
▸ PIK3CB P42338 2/20 0.63
▸ MTOR P42345 2/20 0.63
▸ PIK3CG P48736 2/20 0.63
▸ EPHB4 P54760 2/20 0.63
▸ PRKDC P78527 2/20 0.63
▸ PI4KB Q9UBF8 2/20 0.63
▸ BTK Q06187 14/20 0.57
▸ LCK P06239 6/20 0.51
▸ ITK Q08881 3/20 0.51
▸ JAK3 P52333 2/20 0.51
▸ FYN P06241 4/20 0.49
▸ LYN P07948 4/20 0.49
▸ FLT3 P36888 4/20 0.49

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
SCHEMBL13861274 0.92 SRC (0.61) SRCHCKEGFRABL1PIK3CD
SCHEMBL13860354 0.89 EGFR (0.65) SRCHCKEGFRABL1PIK3CD
SCHEMBL13860356 0.89 EGFR (0.65) SRCHCKEGFRABL1PIK3CD
SCHEMBL18268628 0.89 SRC (0.53) SRCHCKEGFRABL1PIK3CD
SCHEMBL13860192 0.87 SRC (0.60) SRCHCKEGFRABL1PIK3CD
SCHEMBL15613685 0.87 SRC (0.51) SRCHCKEGFRABL1PIK3CD
SCHEMBL13861407 0.86 FYN (0.64) SRCHCKEGFRABL1PIK3CD
SCHEMBL15934560 0.85 BTK (0.59) SRCHCKEGFRABL1PIK3CD
SCHEMBL13860328 0.82 BTK (0.67) BTK
Trifluoroacetic Acid SCHEMBL15517610 0.80 BTK (0.58) SRCHCKEGFRABL1PIK3CD

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9572811-B2 Treatment of dry eye PRINCIPIA BIOPHARMA INC. (US) 2017-02-21 — — US disclosed
EP-2710005-B1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC (US) 2016-10-05 — — EP disclosed
US-9376438-B2 Pyrazolopyrimidine derivatives as tyrosine kinase inhibitors PRINCIPIA BIOPHARMA, INC. (US) 2016-06-28 — — US disclosed
US-9376438-B2 Pyrazolopyrimidine derivatives as tyrosine kinase inhibitors PRINCIPIA BIOPHARMA, INC. (US) 2016-06-28 — — US disclosed
US-9376438-B2 Pyrazolopyrimidine derivatives as tyrosine kinase inhibitors PRINCIPIA BIOPHARMA, INC. (US) 2016-06-28 — — US disclosed
US-20160045503-A1 FORMULATIONS CONTAINING REVERSIBLE COVALENT COMPOUNDS PRINCIPIA BIOPHARMA INC. 2016-02-18 — — US disclosed
US-20150353557-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2015-12-10 — — US disclosed
US-20150353562-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2015-12-10 — — US disclosed
US-9090621-B2 Tyrosine kinase inhibitors PRINCIPIA BIOPHARMA INC. (US) 2015-07-28 — — US disclosed
US-20150182530-A1 TREATMENT OF DRY EYE PRINCIPIA BIOPHARMA INC. (US) 2015-07-02 — — US disclosed
US-20140336382-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2014-11-13 — — US disclosed
US-20140309223-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2014-10-16 — — US disclosed
US-20140303190-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2014-10-09 — — US disclosed
US-20140303161-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. 2014-10-09 — — US disclosed
US-20140221398-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2014-08-07 — — US disclosed
US-20140221398-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2014-08-07 — — US disclosed
US-20140221398-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2014-08-07 — — US disclosed
US-8759358-B1 Tyrosine kinase inhibitors PRINCIPIA BIOPHARMA INC. (US) 2014-06-24 — — US disclosed
US-8673925-B1 Tyrosine kinase inhibitors PRINCIPIA BIOPHARMA INC. (US) 2014-03-18 — — US disclosed
WO-2014022569-A1 TREATMENT OF DRY EYE PRINCIPIA BIOPHARMA INC. (US) 2014-02-06 — — WO 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 (9 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 SRC 18/4885HCK 13/4885EGFR 21/4885
US-20140303161-A1 TYROSINE KINASE INHIBITORS BMX, ITK, BLK SRC 18/4885HCK 13/4885EGFR 21/4885
US-20150353562-A1 TYROSINE KINASE INHIBITORS BMX, ITK, BLK SRC 18/4885HCK 13/4885EGFR 21/4885
US-20160045503-A1 FORMULATIONS CONTAINING REVERSIBLE COVALENT COMPOUNDS PTMS, SSB, HDAC6 SRC 1547/4885HCK 3486/4885EGFR 3358/4885
US-20140303190-A1 TYROSINE KINASE INHIBITORS BMX, ITK, BLK SRC 18/4885HCK 13/4885EGFR 21/4885
US-20140336382-A1 TYROSINE KINASE INHIBITORS BMX, ITK, BLK SRC 18/4885HCK 13/4885EGFR 21/4885
US-20140221398-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS TYROSINE KINASE INHIBITORS BMX, BLK, TEC SRC 25/4885HCK 18/4885EGFR 45/4885
US-20140309223-A1 TYROSINE KINASE INHIBITORS BMX, ITK, BLK SRC 18/4885HCK 13/4885EGFR 21/4885
US-20150182530-A1 TREATMENT OF DRY EYE BTK, SYK, LYN SRC 8/4885HCK 9/4885EGFR 128/4885

“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.