SCHEMBL4864431

SCHEMBL4864431

O=C(CNc1nc(-c2cccnc2)n[nH]1)Nc1cccc(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XBP1 P17861 1/20 0.53
STAT3 P40763 1/20 0.53
GSK3A P49840 1/20 0.53
GSK3B P49841 1/20 0.53
CDK5 Q00535 1/20 0.53
CDK5R1 Q15078 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NOTUM Q6P988 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 2/20 0.46
NPC1 O15118 1/20 0.46
ROCK2 O75116 1/20 0.45
GRK2 P25098 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CNR1 P21554 1/20 0.45
ABL1 P00519 1/20 0.44
BCR P11274 1/20 0.44
PRKCA P17252 1/20 0.44
PRKCD Q05655 1/20 0.44

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 0.89 ROCK2 (0.58) SMN1; SMN2MEN1KMT2AMAPTROCK2
SCHEMBL4868681 0.81 POLB (0.54) XBP1STAT3GSK3AGSK3BCDK5
SCHEMBL4873541 0.80 SMN1; SMN2 (0.52) XBP1STAT3GSK3AGSK3BCDK5
SCHEMBL4869783 0.80 XBP1 (0.51) XBP1STAT3GSK3AGSK3BCDK5
SCHEMBL3586006 0.71 NOTUM (0.69) NOTUMMEN1KMT2AMAPTROCK2
SCHEMBL14082537 0.70 SMN1; SMN2 (0.67) XBP1STAT3GSK3AGSK3BCDK5
SCHEMBL4873966 0.70 ROCK2 (0.64) SMN1; SMN2MEN1KMT2AMAPTROCK2
SCHEMBL8320877 0.69 POLB (0.57) SMN1; SMN2MEN1KMT2AMAPTNPC1
SCHEMBL19051587 0.69 SMN1; SMN2 (0.47) GSK3BSMN1; SMN2MAPT
SCHEMBL14195573 0.69 ROCK2 (0.53) SMN1; SMN2NOTUMMEN1KMT2AMAPT

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 5 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
EP-1581222-A2 COMPOSITIONS AND METHODS FOR INHIBITING TGF-&bgr; MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-10-05 EP 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 XBP1 253/4885STAT3 1204/4885GSK3A 39/4885

“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.