Sugi Predict

Sugi Predict / Compounds / SCHEMBL21712422

SCHEMBL21712422

SCHEMBL21712422

COc1cccc2ncc(N)c(NCC(C)(C)O)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 6/20 0.44
▸ EGFR P00533 2/20 0.39
▸ RAF1 P04049 1/20 0.38
▸ MAP2K1 Q02750 1/20 0.38
▸ DCPS Q96C86 1/20 0.38
▸ SRC P12931 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ACHE P22303 1/20 0.36

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
SCHEMBL21712376 0.81 ALDH1A1 (0.42) KCNA5KDM4EALDH1A1LMNAGAA
SCHEMBL31050886 0.81 ALDH1A1 (0.42) KCNA5KDM4EALDH1A1LMNAGAA
SCHEMBL21730966 0.80 EGFR (0.41) KCNA5EGFRRAF1MAP2K1DCPS
SCHEMBL21730970 0.79 RAF1 (0.46) KCNA5EGFRRAF1MAP2K1DCPS
SCHEMBL842750 0.77 TLR7 (0.38) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL21712418 0.75 MCHR1 (0.36) RAF1MAP2K1SRCMAPT
SCHEMBL3355697 0.74 TLR8 (0.36) EGFRKDM4E
SCHEMBL5505070 0.71 — —
SCHEMBL31050889 0.68 MCHR1 (0.39) MAPTCYP2C9
SCHEMBL21712417 0.68 MCHR1 (0.39) MAPTCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118515666-A 2-Amino-quinoline derivatives 博笛生物科技有限公司 2024-08-20 — — CN disclosed
US-11834448-B2 2-amino-quinoline derivatives BIRDIE BIOPHARMACEUTICALS, INC. (KY) 2023-12-05 — — US disclosed
US-11834448-B2 2-amino-quinoline derivatives BIRDIE BIOPHARMACEUTICALS, INC. (KY) 2023-12-05 — — US disclosed
US-11834448-B2 2-amino-quinoline derivatives BIRDIE BIOPHARMACEUTICALS, INC. (KY) 2023-12-05 — — US disclosed
EP-3615539-B1 2-AMINO-QUINOLINE DERIVATIVES BIRDIE BIOPHARMACEUTICALS INC (KY) 2023-08-09 — — EP disclosed
US-11053240-B2 2-amino-quinoline derivatives BIRDIE BIOPHARMACEUTICALS, INC. (KY) 2021-07-06 — — US disclosed
US-11053240-B2 2-amino-quinoline derivatives BIRDIE BIOPHARMACEUTICALS, INC. (KY) 2021-07-06 — — US disclosed
US-20200055851-A1 2-AMINO-QUINOLINE DERIVATIVES BIRDIE BIOPHARMACEUTICALS, INC. (KY) 2020-02-20 — — US disclosed
US-20200055851-A1 2-AMINO-QUINOLINE DERIVATIVES BIRDIE BIOPHARMACEUTICALS, INC. (KY) 2020-02-20 — — US disclosed
CN-110637018-A 2-amino-quinoline derivatives 博笛生物科技有限公司 2019-12-31 — — CN 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-11053240-B2 2-amino-quinoline derivatives TLR7, TLR8, TLR1 KCNA5 2467/4885EGFR 1172/4885RAF1 2666/4885
US-20200055851-A1 2-AMINO-QUINOLINE DERIVATIVES TLR7, TLR8, TLR1 KCNA5 2467/4885EGFR 1172/4885RAF1 2666/4885
US-11834448-B2 2-amino-quinoline derivatives TLR7, TLR8, TLR1 KCNA5 2467/4885EGFR 1172/4885RAF1 2666/4885

“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.