SCHEMBL20577264

SCHEMBL20577264

Nc1cnc(N[C@@H]2CCNC2)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 4/20 0.44
▸ KCNH2 Q12809 4/20 0.44
▸ MAPK3 P27361 3/20 0.44
▸ MAPK1 P28482 3/20 0.44
▸ AURKB Q96GD4 3/20 0.44
▸ PLK4 O00444 2/20 0.43
▸ BPTF Q12830 2/20 0.40
▸ MKNK1 Q9BUB5 1/20 0.40
▸ MKNK2 Q9HBH9 1/20 0.40
▸ HRH3 Q9Y5N1 3/20 0.40
▸ CLK1 P49759 2/20 0.39
▸ CLK2 P49760 2/20 0.39
▸ CLK4 Q9HAZ1 2/20 0.39
▸ IDH2 P48735 1/20 0.39
▸ HRH4 Q9H3N8 2/20 0.39
▸ HRH2 P25021 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ CCNK O75909 1/20 0.38
▸ CDK7 P50613 1/20 0.38
▸ CCNH P51946 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
SCHEMBL20577266 1.00 SYK (0.44) SYKKCNH2MAPK3MAPK1AURKB
SCHEMBL3631883 1.00 SYK (0.44) SYKKCNH2MAPK3MAPK1AURKB
SCHEMBL22895358 0.86 SYK (0.41) SYKKCNH2MAPK3MAPK1AURKB
SCHEMBL28729081 0.86 SYK (0.41) SYKKCNH2MAPK3MAPK1AURKB
SCHEMBL24655823 0.85 HRH3 (0.46) SYKKCNH2MAPK3MAPK1AURKB
SCHEMBL22895339 0.83 MAPK1 (0.56) MAPK1BPTFMKNK1MKNK2CLK1
SCHEMBL22895627 0.83 MAPK1 (0.56) MAPK1BPTFMKNK1MKNK2CLK1
SCHEMBL17961847 0.83 CCNT1 (0.41) SYKKCNH2MAPK3MAPK1AURKB
SCHEMBL20576709 0.83 CCNK (0.46) SYKKCNH2MAPK3MAPK1AURKB
SCHEMBL20576712 0.83 CCNK (0.46) SYKKCNH2MAPK3MAPK1AURKB

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
EP-3630779-B1 ANTIBIOTIC RESISTANCE BREAKERS KING S COLLEGE LONDON (GB) 2025-09-03 — — EP disclosed
US-11746116-B2 Antibiotic resistance breakers KING'S COLLEGE LONDON (GB) 2023-09-05 — — US disclosed
US-11746116-B2 Antibiotic resistance breakers KING'S COLLEGE LONDON (GB) 2023-09-05 — — US disclosed
CN-110869373-B Antibiotic resistance disruptors 伦敦皇家学院 2023-03-07 — — CN disclosed
EP-3630779-A1 ANTIBIOTIC RESISTANCE BREAKERS Kings College London (GB) 2020-04-08 — — EP disclosed
CN-110869373-A Antibiotic resistance disruptors 伦敦皇家学院 2020-03-06 — — CN disclosed
WO-2018220365-A1 ANTIBIOTIC RESISTANCE BREAKERS KING'S COLLEGE LONDON (GB) 2018-12-06 — — 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-11746116-B2 Antibiotic resistance breakers ABCC1, ARL1, AKR1C3 SYK 3834/4885KCNH2 3591/4885MAPK3 3499/4885

“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.

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