SCHEMBL21753063

SCHEMBL21753063

Cc1cc(C)c([N+](=O)[O-])cc1C#C[Si](C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
TSHR P16473 5/20 0.39
ALDH1A1 P00352 4/20 0.39
CYP3A4 P08684 2/20 0.39
RECQL P46063 1/20 0.39
MAPT P10636 2/20 0.37
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GPR35 Q9HC97 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL22288890 0.93 CYP1A2 (0.42) GAATSHRALDH1A1CYP3A4RECQL
SCHEMBL2989825 0.86 GAA (0.44) GAATSHRALDH1A1CYP3A4RECQL
SCHEMBL31036085 0.86 GAA (0.44) GAATSHRALDH1A1CYP3A4RECQL
SCHEMBL14211018 0.83 GAA (0.44) GAATSHRALDH1A1CYP3A4RECQL
SCHEMBL12742256 0.75 ALDH1A1 (0.53) GAATSHRALDH1A1CYP3A4MAPT
SCHEMBL1507617 0.75 ALDH1A1 (0.49) GAATSHRALDH1A1CYP3A4RECQL
SCHEMBL15218940 0.75 TSHR (0.53) TSHRALDH1A1CYP3A4MAPTHSD17B10
SCHEMBL14790415 0.75 KDM4E (0.33) TSHRALDH1A1CYP3A4MAPTCYP1A2
SCHEMBL14739198 0.75 VCAM1 (0.47) GAATSHRALDH1A1CYP3A4RECQL
SCHEMBL19204032 0.75 GAA (0.38) GAATSHRALDH1A1CYP3A4RECQL

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 5 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

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 GAA 3641/4885TSHR 783/4885ALDH1A1 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.