SCHEMBL166896

SCHEMBL166896

C=CC(=O)N1CCCC(c2c(Cl)c(-c3ccc(Oc4ccc(Cl)c(Cl)c4)c(OC)c3)c3c(N)ncnn23)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BTK Q06187 15/20 1.00
ITK Q08881 2/20 0.46
TNK2 Q07912 1/20 0.44
EGFR P00533 3/20 0.43
ERBB2 P04626 1/20 0.41

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
SCHEMBL19993798 1.00 BTK (1.00) BTKITKTNK2EGFRERBB2
SCHEMBL19986670 0.93 BTK (0.86) BTKEGFRERBB2
SCHEMBL16788366 0.93 BTK (0.86) BTKEGFRERBB2
SCHEMBL122280 0.91 BTK (1.00) BTKITKTNK2EGFR
SCHEMBL124181 0.90 BTK (0.82) BTKITKTNK2EGFRERBB2
SCHEMBL124552 0.89 BTK (0.80) BTKTNK2EGFR
SCHEMBL174843 0.89 BTK (0.80) BTKTNK2EGFR
SCHEMBL16440887 0.89 BTK (0.80) BTKITKEGFRERBB2
SCHEMBL122566 0.88 BTK (0.94) BTKITKTNK2EGFR
SCHEMBL19736258 0.88 BTK (0.78) BTKITKTNK2EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424368-B1 PYRROLOTRIAZINE COMPOUNDS LOCUS PHARMACEUTICALS INC (US) 2014-12-31 EP claimed
US-8765754-B2 Pyrrolotriazine compounds LOCUS PHARMACEUTICALS, INC. (US) 2014-07-01 US claimed
US-20120232054-A1 PYRROLOTRIAZINE COMPOUNDS LOCUS PHARMACEUTICALS, INC. (US) 2012-09-13 US claimed
EP-2424368-A1 PYRROLOTRIAZINE COMPOUNDS Locus Pharmaceuticals, Inc. (US) 2012-03-07 EP claimed
WO-2010126960-A1 PYRROLOTRIAZINE COMPOUNDS LOCUS PHARMACEUTICALS, INC. (US) 2010-11-04 WO claimed
US-20230100137-A1 METHODS OF TREATING AND PREVENTING ALLOANTIBODY DRIVEN CHRONIC GRAFT VERSUS HOST DISEASE PHARMACYCLICS LLC (US) 2023-03-30 US disclosed
EP-4115886-A1 METHODS OF TREATING AND PREVENTING GRAFT VERSUS HOST DISEASE Pharmacyclics LLC (US) 2023-01-11 EP disclosed
US-20210177854-A1 METHODS OF TREATING AND PREVENTING ALLOANTIBODY DRIVEN CHRONIC GRAFT VERSUS HOST DISEASE PHARMACYCLICS LLC 2021-06-17 US disclosed
US-20210145835-A1 METHODS FOR THE TREATMENT OF HER2 AMPLIFIED CANCER PHARMACYCLICS, INC. 2021-05-20 US disclosed
US-20210121463-A1 METHODS OF TREATING AND PREVENTING GRAFT VERSUS HOST DISEASE PHARMACYCLICS LLC (US) 2021-04-29 US disclosed
US-20200397895-A1 TREATMENT USING BRUTON'S TYROSINE KINASE INHIBITORS AND IMMUNOTHERAPY PHARMACYCLICS LLC (US) 2020-12-24 US disclosed
US-20200368235-A1 IBRUTINIB COMBINATION THERAPY PHARMACYCLICS LLC (US) 2020-11-26 US disclosed
US-8765754-B2 Pyrrolotriazine compounds LOCUS PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
US-8765754-B2 Pyrrolotriazine compounds LOCUS PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
US-20120232054-A1 PYRROLOTRIAZINE COMPOUNDS LOCUS PHARMACEUTICALS, INC. (US) 2012-09-13 US disclosed
US-20120232054-A1 PYRROLOTRIAZINE COMPOUNDS LOCUS PHARMACEUTICALS, INC. (US) 2012-09-13 US disclosed
US-20120232054-A1 PYRROLOTRIAZINE COMPOUNDS LOCUS PHARMACEUTICALS, INC. (US) 2012-09-13 US disclosed
EP-2424368-A1 PYRROLOTRIAZINE COMPOUNDS Locus Pharmaceuticals, Inc. (US) 2012-03-07 EP disclosed
WO-2010126960-A1 PYRROLOTRIAZINE COMPOUNDS LOCUS PHARMACEUTICALS, INC. (US) 2010-11-04 WO disclosed
WO-2010126960-A1 PYRROLOTRIAZINE COMPOUNDS LOCUS PHARMACEUTICALS, INC. (US) 2010-11-04 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 (7 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-20210121463-A1 METHODS OF TREATING AND PREVENTING GRAFT VERSUS HOST DISEASE BLK, DCK, CILK1 BTK 8/4885ITK 28/4885TNK2 57/4885
US-20210145835-A1 METHODS FOR THE TREATMENT OF HER2 AMPLIFIED CANCER ERBB2, EGFR, ERBB3 BTK 10/4885ITK 964/4885TNK2 148/4885
US-20210177854-A1 METHODS OF TREATING AND PREVENTING ALLOANTIBODY DRIVEN CHRONIC GRAFT VERSUS HOST DISEASE FCGR3B, BTK, IGLV6-57 BTK 2/4885ITK 748/4885TNK2 3156/4885
US-20230100137-A1 METHODS OF TREATING AND PREVENTING ALLOANTIBODY DRIVEN CHRONIC GRAFT VERSUS HOST DISEASE FCGR3B, BTK, IGLV6-57 BTK 2/4885ITK 748/4885TNK2 3156/4885
US-20200397895-A1 TREATMENT USING BRUTON'S TYROSINE KINASE INHIBITORS AND IMMUNOTHERAPY BTK, LCK, LYN BTK 1/4885ITK 97/4885TNK2 459/4885
US-20120232054-A1 PYRROLOTRIAZINE COMPOUNDS BTK, SYK, ZAP70 BTK 1/4885ITK 361/4885TNK2 511/4885
US-20200368235-A1 IBRUTINIB COMBINATION THERAPY BTK, SYK, LYN BTK 1/4885ITK 106/4885TNK2 381/4885

“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.