SCHEMBL1507617

SCHEMBL1507617

Cc1ccc(C#C[Si](C)(C)C)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
TSHR P16473 2/20 0.49
CYP3A4 P08684 1/20 0.49
RECQL P46063 1/20 0.49
HSD17B10 Q99714 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GAA P10253 1/20 0.39
POLB P06746 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38

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
SCHEMBL6510043 0.85 VCAM1 (0.39) ALDH1A1TSHRCYP3A4CES1SMN1; SMN2
SCHEMBL15687843 0.83 ALDH1A1 (0.49) ALDH1A1RECQLMEN1KMT2AGAA
SCHEMBL2685005 0.83 VCAM1 (0.59) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL2398877 0.83 TSHR (0.51) ALDH1A1TSHRCYP3A4MEN1KMT2A
SCHEMBL21753062 0.81 PDK1 (0.43) ALDH1A1TSHRCYP3A4MEN1KMT2A
SCHEMBL21753049 0.81 CYP1A2 (0.45) ALDH1A1TSHRCYP3A4RECQLHSD17B10
SCHEMBL28536354 0.80 TSHR (0.51) ALDH1A1TSHRCYP3A4RECQLHSD17B10
SCHEMBL1068908 0.79 TDP1 (0.50) ALDH1A1TSHRCYP3A4RECQLMEN1
SCHEMBL2465632 0.79 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AGAAPOLB
SCHEMBL2465627 0.79 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AGAAPOLB

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 14 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
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
EP-3103799-A1 QUINAZOLINE DERIVATIVES OSI Pharmaceuticals, LLC (US) 2016-12-14 EP disclosed
EP-2163546-B1 Quinazoline derivatives PFIZER PROD INC (US) 2016-06-01 EP disclosed
EP-2295415-A1 Quinazoline derivatives OSI Pharmaceuticals, Inc. (US) 2011-03-16 EP disclosed
EP-2163546-A1 Quinazoline derivatives Pfizer Products Incorporated (US) 2010-03-17 EP disclosed
US-RE41065-E1 Alkynl and azido-substituted 4-anilinoquinazolines PFIZER, INC. (US) 2009-12-29 US disclosed
EP-0817775-B1 QUINAZOLINE DERIVATIVES PFIZER (US) 2001-09-12 EP disclosed
EP-1110953-A1 Quinazoline derivatives PFIZER INC. (US) 2001-06-27 EP disclosed
EP-0817775-A1 QUINAZOLINE DERIVATIVES PFIZER INC. (US) 1998-01-14 EP disclosed
WO-1996030347-A1 QUINAZOLINE DERIVATIVES PFIZER INC. (US) 1996-10-03 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 ALDH1A1 2519/4885TSHR 783/4885CYP3A4 2099/4885

“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.