SCHEMBL22025656

SCHEMBL22025656

COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.48
MAPT P10636 10/20 0.44
ALDH1A1 P00352 7/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPK1 P28482 3/20 0.42
INSR P06213 2/20 0.42
IGF1R P08069 2/20 0.42
ALK Q9UM73 2/20 0.42
EGFR P00533 1/20 0.41
PLK1 P53350 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
FGFR3 P22607 2/20 0.40
POLB P06746 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
SCHEMBL29661323 1.00 SIRT6 (0.48) SIRT6MAPTALDH1A1MEN1KMT2A
SCHEMBL23133329 0.91 MAPT (0.48) SIRT6MAPTALDH1A1MEN1KMT2A
SCHEMBL310356 0.90 MAPT (0.51) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL26426465 0.90 SIRT6 (0.51) SIRT6MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL29509137 0.88 SIRT6 (0.60) SIRT6MAPTALDH1A1MEN1KMT2A
SCHEMBL13832296 0.88 SIRT6 (0.60) SIRT6MAPTALDH1A1MEN1KMT2A
SCHEMBL310188 0.88 MAPT (0.43) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL310236 0.88 MAPT (0.40) SIRT6MAPTALDH1A1MEN1KMT2A
SCHEMBL517969 0.88 MAPT (0.55) SIRT6MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL30636459 0.88 MAPT (0.55) SIRT6MAPTALDH1A1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373960-A1 INDOLINE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BEONE MEDICINES I GMBH (CH) 2023-11-23 US disclosed
US-20230373960-A1 INDOLINE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BEONE MEDICINES I GMBH (CH) 2023-11-23 US disclosed
US-20230373960-A1 INDOLINE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BEONE MEDICINES I GMBH (CH) 2023-11-23 US disclosed
US-20230322822-A1 ARYL PHOSPHOROUS OXIDE COMPOUNDS AND USE THEREOF CHENGDU DI'AO JIUHONG PHARMACEUTICAL FACTORY (CN) 2023-10-12 US disclosed
US-20230322822-A1 ARYL PHOSPHOROUS OXIDE COMPOUNDS AND USE THEREOF CHENGDU DI'AO JIUHONG PHARMACEUTICAL FACTORY (CN) 2023-10-12 US disclosed
CN-116249690-A Indoline compounds and derivatives as EGFR inhibitors 百济神州有限公司 2023-06-09 CN disclosed
EP-4177258-A1 ARYLPHOSPHINE OXIDE COMPOUNDS AND USE THEREOF Chengdu Di'Ao Jiuhong Pharmaceutical Factory (CN) 2023-05-10 EP disclosed
EP-3656769-B1 ARYL-PHOSPHORUS-OXYGEN COMPOUND AS EGFR KINASE INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2023-01-25 EP disclosed
WO-2022002241-A1 ARYLPHOSPHINE OXIDE COMPOUNDS AND USE THEREOF 成都地奥九泓制药厂 2022-01-06 WO disclosed
US-20200207768-A1 Aryl-Phosphorus-Oxygen Compound As EGFR Kinase Inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-07-02 US disclosed
EP-3656769-A1 ARYL-PHOSPHORUS-OXYGEN COMPOUND AS EGFR KINASE INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2020-05-27 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 (3 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-20230373960-A1 INDOLINE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS EGFR, ERBB2, ERBB4 SIRT6 2696/4885MAPT 2274/4885ALDH1A1 3986/4885
US-20230322822-A1 ARYL PHOSPHOROUS OXIDE COMPOUNDS AND USE THEREOF ALK, EGFR, ROS1 SIRT6 4493/4885MAPT 3028/4885ALDH1A1 2043/4885
US-20200207768-A1 Aryl-Phosphorus-Oxygen Compound As EGFR Kinase Inhibitor EGFR, ERBB2, ERBB3 SIRT6 3566/4885MAPT 4673/4885ALDH1A1 2267/4885

“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.