SCHEMBL4899604

SCHEMBL4899604

Cc1nccc(-c2n[nH]cc2-c2ccc3nccnc3c2)n1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 15/20 0.46
MAPK14 Q16539 4/20 0.38
MTOR P42345 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.36
DYRK1A Q13627 2/20 0.35
DYRK1B Q9Y463 2/20 0.35
CDK2 P24941 1/20 0.35
PIM1 P11309 1/20 0.33
CDK9 P50750 1/20 0.33
DYRK2 Q92630 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL5138951 0.84 TGFBR1 (0.67) TGFBR1MAPK14MTOR
SCHEMBL4906300 0.81 TGFBR1 (0.39) TGFBR1MAPK14MTORPIM1
SCHEMBL4902499 0.81 TGFBR1 (0.46) TGFBR1MAPK14MTORPIM1
SCHEMBL5138415 0.81 TGFBR1 (0.67) TGFBR1MAPK14MTORPIM1
SCHEMBL4898477 0.78 KDM4E (0.67) KDM4EALDH1A1POLBDYRK1ADYRK1B
SCHEMBL5138443 0.77 TGFBR1 (0.46) TGFBR1MAPK14MTORKDM4EPOLB
SCHEMBL5138799 0.76 TGFBR1 (0.69) TGFBR1MAPK14MTORPIM1
SCHEMBL4896435 0.72 TGFBR1 (0.46) TGFBR1MAPK14DYRK1A
SCHEMBL5139942 0.72 TGFBR1 (0.58) TGFBR1MAPK14POLB
SCHEMBL29832794 0.72 TGFBR1 (0.58) TGFBR1MAPK14POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080171755-A1 Pyrimidinylpyrazoles as Tgf-Beta Inhibitors LEE WEN-CHERNG 2008-07-17 US claimed
EP-1804801-A2 METHODS OF TREATING VASCULAR INJURIES Biogen Idec MA, Inc. (US) 2007-07-11 EP claimed
EP-1786803-A1 PYRIMIDINYLPYRAZOLES AS TGF-BETA INHIBITORS Biogen Idec MA, Inc. (US) 2007-05-23 EP claimed
WO-2006044509-A2 METHODS OF TREATING VASCULAR INJURIES BIOGEN IDEC MA INC. (US) 2006-04-27 WO claimed
WO-2006026305-A1 PYRIMIDINYLPYRAZOLES AS TGF-BETA INHIBITORS BIOGEN IDEC MA INC (US) 2006-03-09 WO claimed
US-20080171755-A1 Pyrimidinylpyrazoles as Tgf-Beta Inhibitors LEE WEN-CHERNG 2008-07-17 US disclosed
WO-2008013928-A2 TREATMENT OF CANCER WITH INTERFERON GENE DELIVERY IN COMBINATION WITH A TGF-BETA INHIBITOR BIOGEN IDEC MA INC. (US) 2008-01-31 WO disclosed
EP-1804801-A2 METHODS OF TREATING VASCULAR INJURIES Biogen Idec MA, Inc. (US) 2007-07-11 EP disclosed
EP-1786803-A1 PYRIMIDINYLPYRAZOLES AS TGF-BETA INHIBITORS Biogen Idec MA, Inc. (US) 2007-05-23 EP disclosed
WO-2006044509-A2 METHODS OF TREATING VASCULAR INJURIES BIOGEN IDEC MA INC. (US) 2006-04-27 WO disclosed
WO-2006026305-A1 PYRIMIDINYLPYRAZOLES AS TGF-BETA INHIBITORS BIOGEN IDEC MA INC (US) 2006-03-09 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-20080171755-A1 Pyrimidinylpyrazoles as Tgf-Beta Inhibitors TGFBR1, SMAD3, ALK TGFBR1 1/4885MAPK14 843/4885MTOR 1056/4885

“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.