SCHEMBL124181

SCHEMBL124181

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

nearest known ligand 0.82

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BTK Q06187 14/20 0.82
ITK Q08881 2/20 0.44
EGFR P00533 3/20 0.43
TNK2 Q07912 1/20 0.42
ERBB2 P04626 2/20 0.40

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
SCHEMBL122059 0.92 BTK (0.83) BTKITKEGFRTNK2ERBB2
SCHEMBL166896 0.90 BTK (1.00) BTKITKEGFRTNK2ERBB2
SCHEMBL19993798 0.90 BTK (1.00) BTKITKEGFRTNK2ERBB2
SCHEMBL123306 0.90 BTK (0.64) BTKTNK2
SCHEMBL124069 0.85 BTK (0.81) BTKITKEGFRTNK2ERBB2
SCHEMBL16788366 0.83 BTK (0.86) BTKEGFRERBB2
SCHEMBL19986670 0.83 BTK (0.86) BTKEGFRERBB2
SCHEMBL176919 0.83 BTK (0.66) BTKTNK2
SCHEMBL122280 0.82 BTK (1.00) BTKITKEGFRTNK2
SCHEMBL170106 0.82 BTK (0.57) BTKTNK2

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 10 patents. 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
US-20160074409-A1 Treatment of Skeletal-Related Disorders ROTHBAUM WAYNE (US) 2016-03-17 US disclosed
EP-2424368-B1 PYRROLOTRIAZINE COMPOUNDS LOCUS PHARMACEUTICALS INC (US) 2014-12-31 EP disclosed
US-20140357636-A1 Treatment of Skeletal-Related Disorders ROTHBAUM WAYNE (US) 2014-12-04 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20160074409-A1 Treatment of Skeletal-Related Disorders SOST, COL2A1, CYP27B1 BTK 4374/4885ITK 4782/4885EGFR 4530/4885
US-20140357636-A1 Treatment of Skeletal-Related Disorders SOST, COL2A1, CYP27B1 BTK 4374/4885ITK 4782/4885EGFR 4530/4885
US-20120232054-A1 PYRROLOTRIAZINE COMPOUNDS BTK, SYK, ZAP70 BTK 1/4885ITK 361/4885EGFR 3296/4885

“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.