SCHEMBL3901620

SCHEMBL3901620

COc1cc2c(=O)nc[nH]c2cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.38
PARP1 P09874 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
BRD4 O60885 1/20 0.38
PDE3B Q13370 4/20 0.37
PDE3A Q14432 4/20 0.37
KDM4E B2RXH2 2/20 0.36
PDPK1 O15530 1/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36
RET P07949 1/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36
MMP12 P39900 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CDK4 P11802 1/20 0.36
CCNA2 P20248 1/20 0.36

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
SCHEMBL24392618 0.94 KDM4E (0.43) SRCPARP1MEN1KMT2ABRD4
SCHEMBL2002754 0.88 KDM4E (0.46) SRCMEN1KMT2APDE3BPDE3A
SCHEMBL16636918 0.84 GRIN2D (0.51) SRCMEN1KMT2ABRD4PDE3B
SCHEMBL30822504 0.84 GRIN2D (0.51) SRCMEN1KMT2ABRD4PDE3B
SCHEMBL22962863 0.83 PARP1 (0.41) PARP1MEN1KMT2APDPK1MAPT
SCHEMBL16432412 0.81 GRIN2D (0.51) SRCMEN1KMT2ABRD4KDM4E
SCHEMBL1806456 0.80 PDE3B (0.47) SRCPDE3BPDE3AKDM4EALDH1A1
SCHEMBL14699028 0.79 SRC (0.40) SRCBRD4KDM4ECYP1A1CYP1B1
SCHEMBL1805702 0.79 QPCT (0.39) SRCKDM4ECYP1A1CYP1B1ALDH1A1
Hydrochloric Acid SCHEMBL28068007 0.79 GRIN2D (0.50) SRCMEN1KMT2ABRD4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090312313-A1 COMPOUND HAVING TGFBETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2009-12-17 US disclosed
US-7560558-B2 Compound having TGFβ inhibitory activity and medicinal composition containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2009-07-14 US disclosed
US-20060111375-A1 Compound having tgfß inhibitory activity and medicinal composition containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-05-25 US disclosed
EP-1548008-A1 COMPOUND HAVING TGF-BETA INHIBITORY ACTIVITY AND MEDICINAL COMPOSITION CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2005-06-29 EP 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 (2 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-20060111375-A1 Compound having tgfß inhibitory activity and medicinal composition containing the same TGFB1, TGFBR1, TGFBR2 SRC 399/4885PARP1 3326/4885MEN1 1660/4885
US-20090312313-A1 COMPOUND HAVING TGFBETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME TGFB1, TGFBR1, TGFBR2 SRC 496/4885PARP1 3750/4885MEN1 1711/4885

“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.