SCHEMBL21753049

SCHEMBL21753049

Cc1cc(C#C[Si](C)(C)C)cc([N+](=O)[O-])c1C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
TSHR P16473 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.35
CCR6 P51684 1/20 0.35
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 2/20 0.34
VCAM1 P19320 1/20 0.34
RECQL P46063 1/20 0.34
GAA P10253 1/20 0.34
GPR35 Q9HC97 2/20 0.33
TTR P02766 1/20 0.33
MAPT P10636 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
SCHEMBL21753140 0.84 CYP1A2 (0.36) CYP1A2TSHRSMN1; SMN2TDP1CCR6
SCHEMBL1507617 0.81 ALDH1A1 (0.49) TSHRSMN1; SMN2HSD17B10ALDH1A1CYP3A4
SCHEMBL2256978 0.76 SMN1; SMN2 (0.37) CYP1A2TSHRSMN1; SMN2TDP1ALDH1A1
SCHEMBL6510043 0.75 VCAM1 (0.39) CYP1A2TSHRSMN1; SMN2TDP1ALDH1A1
SCHEMBL15687843 0.73 ALDH1A1 (0.49) CYP1A2SMN1; SMN2TDP1ALDH1A1VCAM1
SCHEMBL2398877 0.73 TSHR (0.51) CYP1A2TSHRTDP1ALDH1A1CYP3A4
SCHEMBL2685005 0.73 VCAM1 (0.59) ALDH1A1VCAM1MAPT
SCHEMBL21753063 0.72 GAA (0.41) CYP1A2TSHRSMN1; SMN2HSD17B10ALDH1A1
SCHEMBL22288890 0.72 CYP1A2 (0.42) CYP1A2TSHRSMN1; SMN2TDP1CCR6
SCHEMBL21753062 0.72 PDK1 (0.43) CYP1A2TSHRSMN1; SMN2TDP1ALDH1A1

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 CYP1A2 2110/4885TSHR 783/4885SMN1; SMN2 4413/4885

“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.