SCHEMBL21099240

SCHEMBL21099240

Nc1ncccc1-c1cc(Cc2ccc(CNc3cc(F)cc(F)c3)cc2)no1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.39
CDK2 P24941 2/20 0.39
JAK2 O60674 1/20 0.39
ROCK2 O75116 1/20 0.39
MAP4K4 O95819 1/20 0.39
PAK4 O96013 1/20 0.39
PIM1 P11309 1/20 0.39
PRKACA P17612 1/20 0.39
KDR P35968 1/20 0.39
GSK3B P49841 1/20 0.39
AURKB Q96GD4 1/20 0.39
HIPK2 Q9H2X6 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 9/20 0.38
CYP2D6 P10635 9/20 0.38
CYP2C9 P11712 9/20 0.38
CYP2C19 P33261 9/20 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
SCHEMBL30026583 1.00 CDC7 (0.39) CDC7CDK2JAK2ROCK2MAP4K4
SCHEMBL21054496 0.92 HDAC1 (0.43) CDC7CDK2JAK2ROCK2MAP4K4
SCHEMBL21054655 0.91 MAPT (0.38) CDC7CDK2JAK2ROCK2MAP4K4
SCHEMBL509279 0.88 ROCK2 (0.46) CDC7CDK2JAK2ROCK2MAP4K4
SCHEMBL21054638 0.88 ROCK2 (0.38) CDC7CDK2JAK2ROCK2MAP4K4
SCHEMBL30025870 0.88 ROCK2 (0.38) CDC7CDK2JAK2ROCK2MAP4K4
SCHEMBL510415 0.87 CDC7 (0.47) CDC7CDK2JAK2ROCK2MAP4K4
SCHEMBL21054530 0.87 L3MBTL1 (0.41) CDC7CDK2JAK2ROCK2MAP4K4
SCHEMBL21054533 0.87 CDC7 (0.43) CDC7CDK2JAK2ROCK2MAP4K4
SCHEMBL30025725 0.87 CDC7 (0.43) CDC7CDK2JAK2ROCK2MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3720438-B1 HETEROCYCLE SUBSTITUTED PYRIDINE DERIVATIVE ANTIFUNGAL AGENTS AMPLYX PHARMACEUTICALS INC (US) 2023-08-30 EP disclosed
EP-3720438-B1 HETEROCYCLE SUBSTITUTED PYRIDINE DERIVATIVE ANTIFUNGAL AGENTS AMPLYX PHARMACEUTICALS INC (US) 2023-08-30 EP disclosed
US-20230065881-A1 HETEROCYCLE SUBSTITUTED PYRIDINE DERIVATIVE ANTIFUNGAL AGENTS AMPLYX PHARMACEUTICALS, INC. (US) 2023-03-02 US disclosed
US-20230065881-A1 HETEROCYCLE SUBSTITUTED PYRIDINE DERIVATIVE ANTIFUNGAL AGENTS AMPLYX PHARMACEUTICALS, INC. (US) 2023-03-02 US disclosed
US-20210163461-A1 HETEROCYCLE SUBSTITUTED PYRIDINE DERIVATIVE ANTIFUNGAL AGENTS BASILEA PHARMACEUTICA INTERNATIONAL AG, ALLSCHWIL (CH) 2021-06-03 US disclosed
US-20210163461-A1 HETEROCYCLE SUBSTITUTED PYRIDINE DERIVATIVE ANTIFUNGAL AGENTS BASILEA PHARMACEUTICA INTERNATIONAL AG, ALLSCHWIL (CH) 2021-06-03 US disclosed
WO-2020247804-A1 HETEROCYCLE SUBSTITUTED PYRIDINE DERIVATIVE ANTIFUNGAL AGENTS AMPLYX PHARMACEUTICALS, INC. (US) 2020-12-10 WO disclosed
WO-2019113542-A1 HETEROCYCLE SUBSTITUTED PYRIDINE DERIVATIVE ANTIFUNGAL AGENTS AMPLYX PHARMACEUTICALS, INC. (US) 2019-06-13 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 (2 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-20210163461-A1 HETEROCYCLE SUBSTITUTED PYRIDINE DERIVATIVE ANTIFUNGAL AGENTS ERG28, DPM1, CYP51A1 CDC7 202/4885CDK2 626/4885JAK2 1733/4885
US-20230065881-A1 HETEROCYCLE SUBSTITUTED PYRIDINE DERIVATIVE ANTIFUNGAL AGENTS ERG28, DPM1, CYP51A1 CDC7 202/4885CDK2 626/4885JAK2 1733/4885

“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.