SCHEMBL4873966

SCHEMBL4873966

O=C(CCc1nc(-c2ccncc2)n[nH]1)Nc1cccc(Cl)c1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 14/20 0.64
GRK2 P25098 13/20 0.64
MAPT P10636 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
PRKCA P17252 5/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
GRK3 P35626 1/20 0.50
TP53 P04637 1/20 0.48

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
SCHEMBL14195576 0.81 ROCK2 (0.58) ROCK2GRK2MAPTMEN1KMT2A
SCHEMBL8320877 0.80 POLB (0.57) ROCK2GRK2MAPTMEN1KMT2A
SCHEMBL14195573 0.79 ROCK2 (0.53) ROCK2GRK2MAPTMEN1KMT2A
SCHEMBL14195577 0.78 ROCK2 (0.53) ROCK2GRK2MAPTMEN1KMT2A
SCHEMBL4864431 0.70 XBP1 (0.53) ROCK2GRK2MAPTMEN1KMT2A
SCHEMBL25260290 0.70 CSNK1D (0.49) ROCK2GRK2MAPTMEN1KMT2A
SCHEMBL4868681 0.69 POLB (0.54) MAPTKMT2ASMN1; SMN2
SCHEMBL31063668 0.69 GRK2 (0.80) ROCK2GRK2PRKCAGRK3
SCHEMBL4873541 0.69 SMN1; SMN2 (0.52) MAPTMEN1KMT2APRKCASMN1; SMN2
SCHEMBL4789027 0.69 PDE10A (0.46) ROCK2GRK2PRKCAGRK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7361669-B2 Compositions and method for inhibiting TGF-β MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-04-22 US claimed
US-7361669-B2 Compositions and method for inhibiting TGF-β MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-04-22 US disclosed
US-7361669-B2 Compositions and method for inhibiting TGF-β MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-04-22 US disclosed
US-7361669-B2 Compositions and method for inhibiting TGF-β MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-04-22 US disclosed
US-20040157861-A1 Compositions and methods for inhibiting TGF-beta MILLENNIUM PHARMACEUTICALS, INC. 2004-08-12 US disclosed
WO-2004060362-A2 COMPOSITIONS AND METHODS FOR INHIBITING TGF-β MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-07-22 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-20040157861-A1 Compositions and methods for inhibiting TGF-beta TGFB1, TGFB2, TGFBR1 ROCK2 583/4885GRK2 1152/4885MAPT 3300/4885

“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.