SCHEMBL2726098

SCHEMBL2726098

CCN(Cc1ccccc1)c1cc(I)nc(N)n1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
TSHR P16473 1/20 0.46
KDM4E B2RXH2 1/20 0.45
KMT2A Q03164 1/20 0.45
PDPK1 O15530 1/20 0.43
MAPT P10636 1/20 0.42
CNR2 P34972 1/20 0.40
CRHR1 P34998 2/20 0.39
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
HRH4 Q9H3N8 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37

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
SCHEMBL20844355 0.77 MAPT (0.63) SMN1; SMN2TSHRMAPTCNR2CRHR1
SCHEMBL2726149 0.77 DHFR (0.53) SMN1; SMN2TSHRKDM4EKMT2APDPK1
SCHEMBL6265329 0.73 SMN1; SMN2 (0.73) SMN1; SMN2KDM4EKMT2AHRH4
SCHEMBL1367936 0.73 TSHR (0.51) SMN1; SMN2TSHRKDM4EMAPTCNR2
SCHEMBL11930807 0.69 KCNN3 (0.41) SMN1; SMN2TSHRPDPK1CNR2CRHR1
SCHEMBL5134194 0.69 TSHR (0.50) SMN1; SMN2TSHRKDM4EKMT2APDPK1
SCHEMBL11292840 0.68 MAPT (0.50) SMN1; SMN2TSHRMAPTJAK2
SCHEMBL2724055 0.66 PDPK1 (0.43) SMN1; SMN2KDM4EPDPK1MAPTJAK2
SCHEMBL2724430 0.66 PDPK1 (0.43) SMN1; SMN2TSHRKDM4EKMT2APDPK1
SCHEMBL12609970 0.66 TSHR (0.64) SMN1; SMN2TSHRKDM4EKMT2AMAPT

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-9238651-B2 1-H-pyrrolo[2,3-b]pyridine derivatives MERCK PATENT GMBH (DE) 2016-01-19 US disclosed
CN-103180320-B 1H-pyrrolo [2,3-b ] pyridine derivatives MERCK PATENT GMBH (DE) 2015-10-07 CN disclosed
US-20140371215-A1 1-H-Pyrrolo[2,3-b]Pyridine Derivatives MERCK PATENT GMBH (DE) 2014-12-18 US disclosed
US-8895575-B2 1 H-pyrrolo[2,3-b]pyridine derivatives MERCK PATENT GMBH (DE) 2014-11-25 US disclosed
EP-2635574-B1 1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2014-09-10 EP disclosed
US-20140100221-A1 1H-Pyrrolo[2,3-b]Pyridine Derivatives MERCK PATENT GMBH (DE) 2014-04-10 US disclosed
US-8664236-B2 1H-pyrrolo[2,3 b]-pyridine derivatives MERCK PATENT GMBH (DE) 2014-03-04 US disclosed
EP-2635574-A1 1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES Merck Patent GmbH (DE) 2013-09-11 EP disclosed
US-20130231519-A1 1H-Pyrrolo[2,3 b]pyridine derivatives MERCK PATENT GMBH (DE) 2013-09-05 US disclosed
CN-103180320-A 1H-pyrrolo [2,3-b ] pyridine derivatives MERCK PATENT GMBH 2013-06-26 CN disclosed
WO-2012059172-A1 1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-05-10 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 (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-20140371215-A1 1-H-Pyrrolo[2,3-b]Pyridine Derivatives MKI67, CDK4, CCNH SMN1; SMN2 1513/4885TSHR 2927/4885KDM4E 1531/4885
US-20130231519-A1 1H-Pyrrolo[2,3 b]pyridine derivatives MKI67, CDK4, TP53 SMN1; SMN2 1360/4885TSHR 2691/4885KDM4E 1246/4885
US-20140100221-A1 1H-Pyrrolo[2,3-b]Pyridine Derivatives MKI67, CDK4, TP53 SMN1; SMN2 1259/4885TSHR 2564/4885KDM4E 1335/4885

“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.