SCHEMBL122840

SCHEMBL122840

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

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 16/20 0.47
SRC P12931 1/20 0.40
ITGA4 P13612 1/20 0.38
NAPEPLD Q6IQ20 1/20 0.38
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
RET P07949 1/20 0.37
KIF5B P33176 1/20 0.37
KDR P35968 1/20 0.37
ETV6 P41212 1/20 0.37

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
SCHEMBL3803716 0.86 TNK2 (0.45) TNK2KDR
SCHEMBL170006 0.85 TNK2 (0.46) TNK2SRCKDR
SCHEMBL123811 0.83 TNK2 (0.45) TNK2
SCHEMBL123357 0.81 TNK2 (0.52) TNK2SRCMAPTTDP1
SCHEMBL121848 0.79 TNK2 (0.49) TNK2SRCKDR
SCHEMBL122485 0.77 PLK4 (0.54) TNK2SRCMAPTTDP1KDR
SCHEMBL121480 0.76 TNK2 (0.39) TNK2
SCHEMBL122931 0.75 TNK2 (0.46) TNK2SRCKDR
SCHEMBL122930 0.75 TNK2 (0.46) TNK2SRCKDR
SCHEMBL123048 0.75 TNK2 (0.46) TNK2SRC

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 1030/4885SRC 2763/4885ITGA4 2405/4885
US-20140357636-A1 Treatment of Skeletal-Related Disorders SOST, COL2A1, CYP27B1 TNK2 1030/4885SRC 2763/4885ITGA4 2405/4885
US-20120232054-A1 PYRROLOTRIAZINE COMPOUNDS BTK, SYK, ZAP70 TNK2 511/4885SRC 78/4885ITGA4 4432/4885

“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.