SCHEMBL124553

SCHEMBL124553

COc1cc(-c2c(Cl)c(C3CCCN(C(C=CC=O)N(C)C)C3)n3ncnc(N)c23)ccc1Oc1ccc(Cl)c(Cl)c1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BTK Q06187 11/20 0.69
TNK2 Q07912 8/20 0.41
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CG P48736 1/20 0.32

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
SCHEMBL16333090 0.86 BTK (0.69) BTKTNK2PIK3CDPIK3CAPIK3CG
SCHEMBL166896 0.81 BTK (1.00) BTKTNK2
SCHEMBL19993798 0.81 BTK (1.00) BTKTNK2
SCHEMBL21648610 0.81 BTK (0.78) BTKTNK2
SCHEMBL174843 0.80 BTK (0.80) BTKTNK2
SCHEMBL124552 0.80 BTK (0.80) BTKTNK2
SCHEMBL18910975 0.76 BTK (0.76) BTKTNK2
SCHEMBL123466 0.75 BTK (0.70) BTKTNK2PIK3CD
SCHEMBL16788366 0.74 BTK (0.86) BTK
SCHEMBL19986670 0.74 BTK (0.86) BTK

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140357636-A1 Treatment of Skeletal-Related Disorders ROTHBAUM WAYNE (US) 2014-12-04 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 (1 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-20140357636-A1 Treatment of Skeletal-Related Disorders SOST, COL2A1, CYP27B1 BTK 4374/4885TNK2 1030/4885PIK3CD 2190/4885

“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.