SCHEMBL22230552

SCHEMBL22230552

O=[N+]([O-])c1ccc(F)c(C2CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.55
ALDH1A1 P00352 4/20 0.55
HIF1A Q16665 2/20 0.55
CHRNB4 P30926 3/20 0.49
CHRNA3 P32297 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.44
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
KMT2A Q03164 1/20 0.42
SLC18A3 Q16572 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
ADRA2A P08913 2/20 0.40
PNMT P11086 2/20 0.40
HSD17B10 Q99714 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
SCHEMBL4327533 0.93 HSP90AA1 (0.65) HSP90AA1ALDH1A1HIF1ACHRNB4CHRNA3
SCHEMBL25886876 0.86 HSP90AA1 (0.51) HSP90AA1ALDH1A1HIF1ACHRNB4CHRNA3
SCHEMBL28092025 0.83 CHRNB4 (0.67) HSP90AA1ALDH1A1HIF1ACHRNB4CHRNA3
SCHEMBL27751200 0.83 ALDH1A1 (0.45) HSP90AA1ALDH1A1HIF1ACHRNB4CHRNA3
SCHEMBL10452140 0.82 ALDH1A1 (0.47) HSP90AA1ALDH1A1HIF1ACHRNB4CHRNA3
SCHEMBL19204937 0.80 HSP90AA1 (0.57) HSP90AA1ALDH1A1HIF1ACHRNB4CHRNA3
SCHEMBL12825154 0.80 HSP90AA1 (0.57) HSP90AA1ALDH1A1CHRNB4CHRNA3NOS3
SCHEMBL5739346 0.79 HSP90AA1 (0.49) HSP90AA1ALDH1A1HIF1ACHRNB4CHRNA3
SCHEMBL27892542 0.79 HSP90AA1 (0.55) HSP90AA1ALDH1A1HIF1ACHRNB4CHRNA3
SCHEMBL1531296 0.79 HSP90AA1 (0.84) HSP90AA1ALDH1A1HIF1ACHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230265098-A1 ALKYNE QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN INC. 2023-08-24 US disclosed
US-20230265098-A1 ALKYNE QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN INC. 2023-08-24 US disclosed
US-20230265098-A1 ALKYNE QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN INC. 2023-08-24 US disclosed
CN-113302196-B EGFR inhibitor, composition and application thereof 贝达药业股份有限公司 2023-08-04 CN disclosed
US-20220064196-A1 EGFR Inhibitors, Compositions and Methods Thereof BETTA PHARMACEUTICALS CO., LTD. (CN) 2022-03-03 US disclosed
WO-2022006386-A1 ALKYNE QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN THERAPEUTICS, INC. (US) 2022-01-06 WO disclosed
WO-2022006386-A1 ALKYNE QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN THERAPEUTICS, INC. (US) 2022-01-06 WO disclosed
CN-113302196-A EGFR inhibitor and composition and application thereof 贝达药业股份有限公司 2021-08-24 CN disclosed
WO-2020147702-A1 EGFR INHIBITORS, COMPOSITIONS AND METHODS THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2020-07-23 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 (2 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-20220064196-A1 EGFR Inhibitors, Compositions and Methods Thereof EGFR, ERBB2, ERBB3 HSP90AA1 1625/4885ALDH1A1 3755/4885HIF1A 680/4885
US-20230265098-A1 ALKYNE QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ERBB2, ERBB3, CHEK2 HSP90AA1 1046/4885ALDH1A1 2707/4885HIF1A 3248/4885

“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.