SCHEMBL29416635

SCHEMBL29416635

Cc1cc(C#N)cc(C(=O)NC(C)C2CC2)c1NC(=O)c1cc(Br)nn1-c1ncccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 3/20 0.39
DHODH Q02127 2/20 0.38
IDO1 P14902 2/20 0.36
MALT1 Q9UDY8 2/20 0.35
NAMPT P43490 2/20 0.34
GPR6 P46095 1/20 0.34
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
RIPK1 Q13546 1/20 0.34
GCK P35557 1/20 0.34
KCNH2 Q12809 1/20 0.34
TYK2 P29597 1/20 0.33
CCR8 P51685 1/20 0.33

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
SCHEMBL195408 1.00 EGLN1 (0.39) EGLN1DHODHIDO1MALT1NAMPT
SCHEMBL195661 0.94 IDO1 (0.36) EGLN1DHODHIDO1NAMPTGPR6
SCHEMBL29416604 0.94 IDO1 (0.36) EGLN1DHODHIDO1NAMPTGPR6
SCHEMBL29416585 0.93 IDO1 (0.36) EGLN1DHODHIDO1MALT1NAMPT
SCHEMBL516589 0.93 IDO1 (0.36) EGLN1DHODHIDO1MALT1NAMPT
SCHEMBL29416550 0.91 DHODH (0.40) DHODHIDO1MALT1NAMPTCNR1
SCHEMBL195314 0.91 DHODH (0.40) DHODHIDO1MALT1NAMPTCNR1
SCHEMBL30078383 0.91 DHODH (0.41) EGLN1DHODHMALT1GCKKCNH2
SCHEMBL563173 0.91 DHODH (0.41) EGLN1DHODHMALT1GCKKCNH2
SCHEMBL11893160 0.88 DHODH (0.40) EGLN1DHODHMALT1

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
WO-2025056008-A1 PYRIPYROPENE DERIVATIVE, AND COMPOSITION AND USE THEREOF 青岛清原化合物有限公司 2025-03-20 WO disclosed
CN-119613426-A Pyripyropene derivative, composition and application thereof 青岛清原化合物有限公司 2025-03-14 CN disclosed
US-20240382454-A1 ANTIPARASITIC ISOXAZOLINE COMPOUNDS, LONG-ACTING INJECTABLE FORMULATIONS COMPRISING THEM, METHODS AND USES THEREOF Boehringer Ingelheim Animal Health USA Inc. (US) 2024-11-21 US disclosed
US-12083100-B1 Antiparasitic isoxazoline compounds, long-acting injectable formulations comprising them, methods and uses thereof Boehringer Ingelheim Animal Health USA Inc. (US) 2024-09-10 US disclosed
EP-2699563-B3 NOVEL PESTICIDAL PYRAZOLE COMPOUNDS BASF SE (DE) 2024-06-12 EP disclosed
US-11497732-B2 Antiparasitic isoxazoline compounds, long-acting injectable formulations comprising them, methods and uses thereof Boehringer Ingelheim Animal Health USA Inc. (US) 2022-11-15 US disclosed
CN-114573573-A Antiparasitic isoxazoline compounds, long-acting injectable formulations containing them, methods and uses thereof 勃林格殷格翰动物保健美国公司 2022-06-03 CN disclosed
CN-109068651-B Antiparasitic isoxazoline compounds, long-acting injectable formulations containing them, methods and uses thereof 勃林格殷格翰动物保健美国公司 2022-03-01 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-12083100-B1 Antiparasitic isoxazoline compounds, long-acting injectable formulations comprising them, methods and uses thereof IL17A, MMP17, MMP1 EGLN1 879/4885DHODH 3577/4885IDO1 32/4885
US-20240382454-A1 ANTIPARASITIC ISOXAZOLINE COMPOUNDS, LONG-ACTING INJECTABLE FORMULATIONS COMPRISING THEM, METHODS AND USES THEREOF IL17A, MMP17, MMP1 EGLN1 879/4885DHODH 3577/4885IDO1 32/4885
US-11497732-B2 Antiparasitic isoxazoline compounds, long-acting injectable formulations comprising them, methods and uses thereof IL17A, MMP17, MMP1 EGLN1 879/4885DHODH 3577/4885IDO1 32/4885

“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.