SCHEMBL15517102

SCHEMBL15517102

N#CCC(=O)N1CCC(n2nc(-c3ccc(NC(=O)c4ccc(C(F)(F)F)cc4)cc3)c3c(N)ncnc32)CC1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BTK Q06187 10/20 0.65
JAK2 O60674 4/20 0.60
JAK3 P52333 4/20 0.60
EGFR P00533 2/20 0.57
ITK Q08881 2/20 0.56
RET P07949 1/20 0.50
JAK1 P23458 1/20 0.50
TYK2 P29597 1/20 0.50
LCK P06239 2/20 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
SCHEMBL13861069 0.92 BTK (0.75) BTKJAK2JAK3EGFRITK
SCHEMBL15517485 0.92 BTK (0.75) BTKJAK2JAK3EGFRITK
SCHEMBL15517337 0.85 BTK (0.85) BTKEGFRITK
SCHEMBL13977847 0.85 BTK (0.85) BTKEGFRITK
SCHEMBL13977858 0.85 BTK (0.85) BTKEGFRITKRETLCK
SCHEMBL15515723 0.85 BTK (0.85) BTKEGFRITKRETLCK
SCHEMBL15515725 0.85 BTK (0.85) BTKEGFRITKRETLCK
SCHEMBL16194714 0.84 BTK (0.63) BTKEGFRITKRETLCK
SCHEMBL13860285 0.84 BTK (0.62) BTKEGFRITKRETLCK
SCHEMBL18533066 0.81 BTK (0.82) BTKJAK3EGFRITK

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-9580427-B2 Kinase inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-02-28 US disclosed
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-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-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-8962635-B2 Tyrosine kinase inhibitors PRINCIPIA BIOPHARMA INC. (US) 2015-02-24 US disclosed
US-8962831-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-20140323464-A1 KINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-10-30 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-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 BTK 4/4885JAK2 23/4885JAK3 43/4885
US-20140303161-A1 TYROSINE KINASE INHIBITORS BMX, ITK, BLK BTK 4/4885JAK2 23/4885JAK3 43/4885
US-20150353562-A1 TYROSINE KINASE INHIBITORS BMX, ITK, BLK BTK 4/4885JAK2 23/4885JAK3 43/4885
US-20140323464-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 BTK 279/4885JAK2 320/4885JAK3 286/4885
US-20160045503-A1 FORMULATIONS CONTAINING REVERSIBLE COVALENT COMPOUNDS PTMS, SSB, HDAC6 BTK 156/4885JAK2 979/4885JAK3 1368/4885
US-20140303190-A1 TYROSINE KINASE INHIBITORS BMX, ITK, BLK BTK 4/4885JAK2 23/4885JAK3 43/4885
US-20140336382-A1 TYROSINE KINASE INHIBITORS BMX, ITK, BLK BTK 4/4885JAK2 23/4885JAK3 43/4885
US-20140309223-A1 TYROSINE KINASE INHIBITORS BMX, ITK, BLK BTK 4/4885JAK2 23/4885JAK3 43/4885
US-20150182530-A1 TREATMENT OF DRY EYE BTK, SYK, LYN BTK 1/4885JAK2 94/4885JAK3 79/4885

“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.