SCHEMBL4872272

SCHEMBL4872272

O=C(CSc1nc(-c2ccncc2)c[nH]1)Nc1cccc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.54
POLB P06746 2/20 0.52
MAPT P10636 5/20 0.51
KMT2A Q03164 5/20 0.51
KDM4E B2RXH2 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
GBA1 P04062 1/20 0.51
HPGD P15428 1/20 0.51
LDHA P00338 1/20 0.50
TP53 P04637 1/20 0.48
THRB P10828 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 4/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL8320877 0.81 POLB (0.57) TACR1POLBMAPTKMT2AKDM4E
SCHEMBL4872235 0.80 MEN1 (0.67) TACR1POLBMAPTKMT2AKDM4E
SCHEMBL3174768 0.79 MAPT (0.62) POLBMAPTKMT2AKDM4ENPC1
SCHEMBL4872760 0.79 TACR1 (0.56) TACR1POLBMAPTKMT2AKDM4E
SCHEMBL4864377 0.74 PKM (0.76) TACR1POLBMAPTKMT2AKDM4E
SCHEMBL4874741 0.74 MAPT (0.81) POLBMAPTKMT2AKDM4ENPC1
SCHEMBL4868681 0.73 POLB (0.54) POLBMAPTKMT2ANPC1RAB9A
SCHEMBL4865829 0.71 TACR1 (0.57) TACR1POLBMAPTKMT2AKDM4E
SCHEMBL11704645 0.69 POLB (0.70) POLBMAPTKMT2ANPC1RAB9A
SCHEMBL14195576 0.67 ROCK2 (0.58) POLBMAPTKMT2AKDM4EHPGD

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 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
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 TACR1 3454/4885POLB 2036/4885MAPT 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.