Sugi Predict

Sugi Predict / Compounds / SCHEMBL24327382

SCHEMBL24327382

SCHEMBL24327382

CN(C)C1CCN(c2ccc([N+](=O)[O-])c3c2CCC3)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.42
▸ POLB P06746 3/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CTSB P07858 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ AR P10275 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ MAPT P10636 4/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ CTPS1 P17812 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ WDR5 P61964 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ NOS3 P29474 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
SCHEMBL22860571 0.79 PRKCZ (0.39) CYP2C9L3MBTL1
SCHEMBL4876383 0.79 GAA (0.58) ALDH1A1POLBCYP1A2CYP2C19CYP2C9
SCHEMBL26655456 0.78 CTSB (0.40) ALDH1A1POLBCTSBGAATDP1
SCHEMBL29661308 0.77 PRKCZ (0.38) ALDH1A1POLBCYP2C9GAAMAPT
SCHEMBL24328350 0.77 PRKCZ (0.38) ALDH1A1POLBCYP2C9GAAMAPT
SCHEMBL28799318 0.77 KMT2A (0.56) ALDH1A1CTSBGAAARTDP1
SCHEMBL26655421 0.76 ALDH1A1 (0.37) ALDH1A1POLBCYP1A2CYP2C19CYP2C9
SCHEMBL30962786 0.76 HTT (0.50) ALDH1A1CYP1A2CYP2C19CYP2C9GAA
SCHEMBL3440305 0.76 HTT (0.50) ALDH1A1CYP1A2CYP2C19CYP2C9GAA
SCHEMBL20125085 0.76 MAPT (0.50) ALDH1A1POLBCYP1A2CYP2C19CYP2C9

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 7 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
EP-4217348-A1 INDOLINE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BeiGene, Ltd. (KY) 2023-08-02 — — EP disclosed
CN-116249690-A Indoline compounds and derivatives as EGFR inhibitors 百济神州有限公司 2023-06-09 — — CN disclosed
WO-2022063106-A1 INDOLINE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BEIGENE, LTD. (KY) 2022-03-31 — — WO disclosed
WO-2022063106-A1 INDOLINE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BEIGENE, LTD. (KY) 2022-03-31 — — 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-20230373960-A1 INDOLINE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS EGFR, ERBB2, ERBB4 ALDH1A1 3986/4885POLB 2666/4885CYP1A2 3286/4885

“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.