SCHEMBL15516634

SCHEMBL15516634

Cc1cc2c(Cl)ncnc2n1C[C@@H]1CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE8B O95263 1/20 0.40
ALOX5AP P20292 3/20 0.40
JAK2 O60674 2/20 0.39
ALDH1A1 P00352 2/20 0.38
FEN1 P39748 1/20 0.38
IL1B P01584 2/20 0.37
P2RX7 Q99572 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
JAK3 P52333 1/20 0.37
LMNA P02545 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
PIK3CD O00329 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TSHR P16473 2/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
OPRD1 P41143 1/20 0.36
CHEK2 O96017 1/20 0.36

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
SCHEMBL15516633 1.00 PDE8B (0.40) PDE8BALOX5APJAK2ALDH1A1FEN1
SCHEMBL16492427 0.89 PDE8B (0.39) PDE8BALOX5APJAK2ALDH1A1FEN1
SCHEMBL16492428 0.89 PDE8B (0.39) PDE8BALOX5APJAK2ALDH1A1FEN1
SCHEMBL13860102 0.86 HRH3 (0.35) JAK3
SCHEMBL17406882 0.82 GPR119 (0.43) PIK3CDMAPT
SCHEMBL15516736 0.82 PDE8B (0.40) PDE8BALOX5APJAK2ALDH1A1FEN1
SCHEMBL15516738 0.82 PDE8B (0.40) PDE8BALOX5APJAK2ALDH1A1FEN1
SCHEMBL19731422 0.79 IL1B (0.44) PDE8BALDH1A1IL1BP2RX7IRAK4
SCHEMBL13857901 0.76 IL1B (0.43) PDE8BALOX5APALDH1A1FEN1IL1B
SCHEMBL18925739 0.76 IL1B (0.43) PDE8BALOX5APALDH1A1FEN1IL1B

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 20 patents. 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-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-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-8957080-B2 Tyrosine kinase inhibitors PRINCIPIA BIOPHARMA INC. (US) 2015-02-17 US disclosed
US-8946241-B2 Tyrosine kinase inhibitors PRINCIPIA BIOPHARMA INC. (US) 2015-02-03 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-20140303161-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. 2014-10-09 US disclosed
US-20140303190-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2014-10-09 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 PDE8B 2187/4885ALOX5AP 1946/4885JAK2 23/4885
US-20140303161-A1 TYROSINE KINASE INHIBITORS BMX, ITK, BLK PDE8B 2187/4885ALOX5AP 1946/4885JAK2 23/4885
US-20150353562-A1 TYROSINE KINASE INHIBITORS BMX, ITK, BLK PDE8B 2187/4885ALOX5AP 1946/4885JAK2 23/4885
US-20160045503-A1 FORMULATIONS CONTAINING REVERSIBLE COVALENT COMPOUNDS PTMS, SSB, HDAC6 PDE8B 1180/4885ALOX5AP 408/4885JAK2 979/4885
US-20140303190-A1 TYROSINE KINASE INHIBITORS BMX, ITK, BLK PDE8B 2187/4885ALOX5AP 1946/4885JAK2 23/4885
US-20140336382-A1 TYROSINE KINASE INHIBITORS BMX, ITK, BLK PDE8B 2187/4885ALOX5AP 1946/4885JAK2 23/4885
US-20140221398-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS TYROSINE KINASE INHIBITORS BMX, BLK, TEC PDE8B 1952/4885ALOX5AP 2254/4885JAK2 11/4885
US-20140309223-A1 TYROSINE KINASE INHIBITORS BMX, ITK, BLK PDE8B 2187/4885ALOX5AP 1946/4885JAK2 23/4885
US-20150182530-A1 TREATMENT OF DRY EYE BTK, SYK, LYN PDE8B 1565/4885ALOX5AP 1125/4885JAK2 94/4885

“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.