SCHEMBL7975640

SCHEMBL7975640

COC(=O)c1cc2c(OC)ccnc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48
ABL1 P00519 3/20 0.44
SRC P12931 3/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
MAPT P10636 1/20 0.42
CYP1A2 P05177 1/20 0.41
NUDT1 P36639 2/20 0.41
ULK1 O75385 1/20 0.41
IDO1 P14902 1/20 0.41
CHUK O15111 1/20 0.40
INSR P06213 1/20 0.40
MAPK8 P45983 1/20 0.40
CAMKK2 Q96RR4 1/20 0.40
DYRK1A Q13627 1/20 0.39
MAP2K1 Q02750 1/20 0.39
PDGFRA P16234 1/20 0.39
KDR P35968 1/20 0.39

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
SCHEMBL3262305 0.88 KDM4E (0.59) KDM4EHPGDNUDT1IDO1CHUK
SCHEMBL3195922 0.88 NUDT1 (0.47) GLAGAAKDM4EHPGDMAPT
SCHEMBL29813525 0.87 KDM4E (0.43) KDM4EHPGDNUDT1IDO1CHUK
SCHEMBL23148103 0.87 KDM4E (0.43) KDM4EHPGDNUDT1IDO1CHUK
SCHEMBL30883103 0.83 ABL1 (0.43) GLAGAAABL1SRCKDM4E
SCHEMBL26620152 0.83 ABL1 (0.43) GLAGAAABL1SRCKDM4E
SCHEMBL30731054 0.82 ABL1 (0.44) GLAGAAABL1SRCCYP1A2
SCHEMBL22554309 0.82 ABL1 (0.44) GLAGAAABL1SRCCYP1A2
SCHEMBL30226495 0.82 ABL1 (0.45) ABL1SRCMAPTCYP1A2NUDT1
SCHEMBL899166 0.82 ABL1 (0.45) ABL1SRCMAPTCYP1A2NUDT1

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-20110312938-A1 Pyrrolopyridine Carboxylic Acid Derivatives IRONWOOD PHARMACEUTICALS, INC. (US) 2011-12-22 US disclosed
US-20110312938-A1 Pyrrolopyridine Carboxylic Acid Derivatives IRONWOOD PHARMACEUTICALS, INC. (US) 2011-12-22 US disclosed
US-20110312938-A1 Pyrrolopyridine Carboxylic Acid Derivatives IRONWOOD PHARMACEUTICALS, INC. (US) 2011-12-22 US disclosed
WO-2010005528-A2 PYRROLOPYRIDINE CARBOXYLIC ACID DERIVATIVES IRONWOOD PHARMACEUTICALS INCORPORATED (US) 2010-01-14 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-20110312938-A1 Pyrrolopyridine Carboxylic Acid Derivatives SDHA, ALDH5A1, SDHB GLA 2627/4885GAA 283/4885ABL1 1045/4885

“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.