Sugi Predict

Sugi Predict / Compounds / SCHEMBL22652017

SCHEMBL22652017

SCHEMBL22652017

C=Cc1cc(N2CC[C@@H](N(C)C)C2)ccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ HPGD P15428 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ GAA P10253 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ SIRT6 Q8N6T7 3/20 0.39
▸ HTR2B P41595 2/20 0.39
▸ HTR6 P50406 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ THRB P10828 1/20 0.38
▸ WDR5 P61964 1/20 0.38
▸ NOS3 P29474 1/20 0.38
▸ NOS1 P29475 1/20 0.38
▸ NOS2 P35228 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
SCHEMBL22652112 1.00 MAPT (0.41) MAPTRAB9AHPGDALDH1A1GAA
SCHEMBL20367095 0.93 MAPT (0.45) MAPTRAB9AHPGDALDH1A1GAA
SCHEMBL4256964 0.83 HPGD (0.59) MAPTRAB9AHPGDALDH1A1GAA
SCHEMBL22652009 0.82 MAPT (0.43) MAPTRAB9AHPGDALDH1A1GAA
SCHEMBL3381586 0.82 LMNA (0.59) MAPTRAB9AHPGDALDH1A1GAA
SCHEMBL22652104 0.82 MAPT (0.43) MAPTRAB9AHPGDALDH1A1GAA
SCHEMBL5957921 0.82 LMNA (0.59) MAPTRAB9AHPGDALDH1A1GAA
SCHEMBL20367201 0.82 HPGD (0.45) MAPTRAB9AHPGDALDH1A1GAA
SCHEMBL30002512 0.82 HPGD (0.42) MAPTRAB9AHPGDALDH1A1GAA
SCHEMBL12312063 0.80 ALDH1A1 (0.63) MAPTHPGDALDH1A1GAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230039712-A1 PHENYLAMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-02-09 — — US disclosed
US-11530206-B2 Phenylaminopyrimidine amide autophagy inhibitors and methods of use thereof DECIPHERA PHARMACEUTICALS, LLC (US) 2022-12-20 — — US disclosed
US-20200354352-A1 PHENYLAMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2020-11-12 — — US 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-20230039712-A1 PHENYLAMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF BECN1, SQSTM1, ATG7 MAPT 817/4885RAB9A 736/4885HPGD 1978/4885
US-11530206-B2 Phenylaminopyrimidine amide autophagy inhibitors and methods of use thereof BECN1, SQSTM1, ATG7 MAPT 817/4885RAB9A 736/4885HPGD 1978/4885
US-20200354352-A1 PHENYLAMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF BECN1, SQSTM1, ATG7 MAPT 817/4885RAB9A 736/4885HPGD 1978/4885

“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.