SCHEMBL2815078

SCHEMBL2815078

O=C(O)c1cc2cccnc2n1Cc1cccc(F)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 3/20 0.62
KDM4E B2RXH2 3/20 0.62
CYP1A2 P05177 2/20 0.62
CYP3A4 P08684 2/20 0.62
CYP2D6 P10635 2/20 0.62
CYP2C19 P33261 2/20 0.62
MAPT P10636 3/20 0.51
ENPP2 Q13822 4/20 0.49
CCR2 P41597 5/20 0.48
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
LMNA P02545 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GAA P10253 1/20 0.46
KDM4C Q9H3R0 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL4382390 0.89 ATM (0.61) ATMKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL3005616 0.87 CCR2 (0.62) ATMKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL1100706 0.85 CCR2 (0.47) ATMKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL2815373 0.84 ATM (0.58) ATMKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL2999654 0.83 F10 (0.45) ATMKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL1100863 0.82 CCR2 (0.61) ATMKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL298062 0.82 CCR2 (0.52) ATMKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL974497 0.81 CCR2 (0.46) ATMKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL2810002 0.80 KDM4E (0.51) ATMKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL1099588 0.80 CCR9 (0.47) ATMKDM4ECYP1A2CYP3A4CYP2D6

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 9 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 claimed
WO-2010005528-A2 PYRROLOPYRIDINE CARBOXYLIC ACID DERIVATIVES IRONWOOD PHARMACEUTICALS INCORPORATED (US) 2010-01-14 WO claimed
CN-101247808-B N- (arylalkyl) -1H-pyrrolopyridine-2-carboxamide derivatives and their preparation SANOFI AVENTIS 2014-08-27 CN disclosed
US-20110312938-A1 Pyrrolopyridine Carboxylic Acid Derivatives IRONWOOD PHARMACEUTICALS, INC. (US) 2011-12-22 US disclosed
US-20100249183-A1 THERAPEUTIC USE OF N-(ARYLALKYL)-1H-PYRROLOPYRIDINE-2-CARBOXAMIDE DERIVATIVES SANOFI-AVENTIS (FR) 2010-09-30 US disclosed
US-7763636-B2 N-(arylalkyl)-1H-pyrrolopyridine-2-carboxamide derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-07-27 US disclosed
WO-2010005528-A2 PYRROLOPYRIDINE CARBOXYLIC ACID DERIVATIVES IRONWOOD PHARMACEUTICALS INCORPORATED (US) 2010-01-14 WO disclosed
EP-1912644-B1 N-(ARYLALKYL)-1H-PYRROLOPYRIDINE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF SANOFI AVENTIS (FR) 2009-12-16 EP disclosed
US-20080125459-A1 N-(ARYLALKYL)-1H-PYRROLOPYRIDINE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-05-29 US 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 (3 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-20080125459-A1 N-(ARYLALKYL)-1H-PYRROLOPYRIDINE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF CYP3A5, ZYX, ZDHHC2 ATM 4837/4885KDM4E 1484/4885CYP1A2 8/4885
US-20110312938-A1 Pyrrolopyridine Carboxylic Acid Derivatives SDHA, ALDH5A1, SDHB ATM 2238/4885KDM4E 3282/4885CYP1A2 154/4885
US-20100249183-A1 THERAPEUTIC USE OF N-(ARYLALKYL)-1H-PYRROLOPYRIDINE-2-CARBOXAMIDE DERIVATIVES ZDHHC2, ZYX, GLS2 ATM 4701/4885KDM4E 1925/4885CYP1A2 59/4885

“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.