SCHEMBL169914

SCHEMBL169914

COc1ccc(-c2c(C3CCNCC3)c(-c3ccc(Oc4cccc(C#N)c4)c(OC)c3)c3c(N)ncnn23)cc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 14/20 0.46
BTK Q06187 2/20 0.44
ACVRL1 P37023 1/20 0.37
AR P10275 1/20 0.35
PIK3CD O00329 2/20 0.35

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
SCHEMBL121733 0.90 BTK (0.54) TNK2BTKACVRL1
SCHEMBL168773 0.88 TNK2 (0.50) TNK2BTKACVRL1ARPIK3CD
SCHEMBL123525 0.85 BTK (0.52) TNK2BTKACVRL1PIK3CD
SCHEMBL122554 0.85 BTK (0.54) TNK2BTKACVRL1PIK3CD
SCHEMBL16332809 0.82 TNK2 (0.44) TNK2BTKARPIK3CD
SCHEMBL124219 0.81 BTK (0.49) TNK2BTKARPIK3CD
SCHEMBL166544 0.80 BTK (0.51) TNK2BTKACVRL1PIK3CD
SCHEMBL169985 0.80 BTK (0.50) TNK2BTKPIK3CD
SCHEMBL169984 0.80 BTK (0.50) TNK2BTKPIK3CD
SCHEMBL123048 0.78 TNK2 (0.46) TNK2ACVRL1PIK3CD

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 TNK2 1030/4885BTK 4374/4885ACVRL1 1899/4885
US-20140357636-A1 Treatment of Skeletal-Related Disorders SOST, COL2A1, CYP27B1 TNK2 1030/4885BTK 4374/4885ACVRL1 1899/4885
US-20120232054-A1 PYRROLOTRIAZINE COMPOUNDS BTK, SYK, ZAP70 TNK2 511/4885BTK 1/4885ACVRL1 2567/4885

“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.