SCHEMBL123048

SCHEMBL123048

COc1cccc(-c2c(C3CCNCC3)c(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnn23)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 13/20 0.46
PIK3CD O00329 2/20 0.41
SRC P12931 2/20 0.41
LCK P06239 1/20 0.41
TEK Q02763 1/20 0.41
LRRK2 Q5S007 1/20 0.41
ABL1 P00519 1/20 0.41
EGFR P00533 1/20 0.41
ABL2 P42684 1/20 0.41
ACVRL1 P37023 1/20 0.40
PLAT P00750 1/20 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
SCHEMBL123525 0.84 BTK (0.52) TNK2PIK3CDSRCLRRK2ABL1
SCHEMBL122554 0.84 BTK (0.54) TNK2PIK3CDSRCLRRK2ABL1
SCHEMBL123357 0.81 TNK2 (0.52) TNK2PIK3CDSRCABL1EGFR
SCHEMBL121733 0.80 BTK (0.54) TNK2ACVRL1
SCHEMBL121848 0.79 TNK2 (0.49) TNK2SRCLCKABL1
SCHEMBL169914 0.78 TNK2 (0.46) TNK2PIK3CDACVRL1
SCHEMBL122485 0.77 PLK4 (0.54) TNK2SRCLCKABL1EGFR
SCHEMBL122931 0.75 TNK2 (0.46) TNK2SRCLCKABL1EGFR
SCHEMBL170006 0.75 TNK2 (0.46) TNK2SRCLCKABL1
SCHEMBL122930 0.75 TNK2 (0.46) TNK2SRCLCKABL1EGFR

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 12 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
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-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 1030/4885PIK3CD 2190/4885SRC 2763/4885
US-20140357636-A1 Treatment of Skeletal-Related Disorders SOST, COL2A1, CYP27B1 TNK2 1030/4885PIK3CD 2190/4885SRC 2763/4885
US-20120232054-A1 PYRROLOTRIAZINE COMPOUNDS BTK, SYK, ZAP70 TNK2 511/4885PIK3CD 426/4885SRC 78/4885

“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.