SCHEMBL21747795

SCHEMBL21747795

CCOc1ccnc(N)c1I

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
HPGD P15428 2/20 0.46
ALDH1A1 P00352 2/20 0.42
TLR8 Q9NR97 1/20 0.41
NOS2 P35228 4/20 0.40
NOS3 P29474 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
IKBKB O14920 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL473665 0.80 NOS3 (0.39) ALDH1A1TLR8NOS2NOS3CA12
SCHEMBL9984313 0.78 SMN1; SMN2 (0.47) SMN1; SMN2HPGDALDH1A1TLR8NOS2
SCHEMBL22224597 0.77 HPGD (0.46) SMN1; SMN2HPGDALDH1A1TLR8NOS2
SCHEMBL21747948 0.76 TLR8 (0.40) TLR8NOS2NOS3MEN1POLB
SCHEMBL1002382 0.72 LTA4H (0.59) SMN1; SMN2HPGDALDH1A1TLR8NOS2
SCHEMBL11816464 0.72 IKBKB (0.46) SMN1; SMN2HPGDALDH1A1MAPTHSD17B10
SCHEMBL28427215 0.70 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTMEN1POLB
SCHEMBL31007081 0.69 MET (0.39) CDK2
SCHEMBL28282683 0.69 SMN1; SMN2 (0.39) SMN1; SMN2HPGDALDH1A1TLR8KDM4E
SCHEMBL28282695 0.69 NOS2 (0.50) SMN1; SMN2HPGDALDH1A1TLR8NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220370440-A1 4-SUBSTITUTED PYRROLO[2,3-B]PYRIDINE AS ERBB MODULATORS USEFUL FOR TREATING CANCER LEAD DISCOVERY CENTER GMBH (DE) 2022-11-24 US disclosed
EP-3807274-B1 4-SUBSTITUTED PYRROLO[2,3-B]PYRIDINE AS ERBB MODULATORS USEFUL FOR TREATING CANCER LEAD DISCOVERY CENTER GMBH (DE) 2022-07-27 EP disclosed
EP-3807274-A1 4-SUBSTITUTED PYRROLO[2,3-B]PYRIDINE AS ERBB MODULATORS USEFUL FOR TREATING CANCER Lead Discovery Center GmbH (DE) 2021-04-21 EP disclosed
CN-112585138-A 4-substituted pyrrolo [2,3-b ] pyridines as ErbB modulators useful in the treatment of cancer 利德探索中心有限公司 2021-03-30 CN disclosed
WO-2020039060-A1 4-SUBSTITUTED PYRROLO[2,3-B]PYRIDINE AS ERBB MODULATORS USEFUL FOR TREATING CANCER LEAD DISCOVERY CENTER GMBH (DE) 2020-02-27 WO disclosed
EP-3613738-A1 4-SUBSTITUTED PYRROLO[2,3-B]PYRIDINE AS ERBB MODULATORS USEFUL FOR TREATING CANCER Lead Discovery Center GmbH (DE) 2020-02-26 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 (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-20220370440-A1 4-SUBSTITUTED PYRROLO[2,3-B]PYRIDINE AS ERBB MODULATORS USEFUL FOR TREATING CANCER ERBB2, ERBB4, ERBB3 SMN1; SMN2 4413/4885HPGD 683/4885ALDH1A1 2519/4885

“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.