SCHEMBL15834358

SCHEMBL15834358

N#Cc1ccc(-c2ccc(-c3ccc(Br)cc3)cc2F)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 3/20 0.54
▸ PDE3B Q13370 1/20 0.48
▸ PDE3A Q14432 1/20 0.48
▸ MAOB P27338 2/20 0.46
▸ MAOA P21397 1/20 0.46
▸ CYP11B1 P15538 2/20 0.42
▸ CYP11B2 P19099 2/20 0.42
▸ PDK2 Q15119 1/20 0.41
▸ MMP3 P08254 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ AHR P35869 1/20 0.40
▸ KDM1A O60341 1/20 0.40
▸ ALOX5AP P20292 2/20 0.39
▸ FEN1 P39748 2/20 0.39
▸ RORC P51449 1/20 0.39

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
SCHEMBL397141 0.93 KIF11 (0.61) KIF11PDE3BPDE3ACYP11B1CYP11B2
SCHEMBL7719106 0.91 PDE3B (0.46) KIF11PDE3BPDE3AMAOBMAOA
SCHEMBL17630052 0.91 PDE3B (0.46) KIF11PDE3BPDE3AMAOBMAOA
SCHEMBL18499494 0.86 KIF11 (0.54) KIF11PDE3BPDE3ACYP11B1CYP11B2
SCHEMBL19308493 0.86 KIF11 (0.54) KIF11PDE3BPDE3ACYP11B1CYP11B2
SCHEMBL27806612 0.85 KIF11 (0.51) KIF11PDE3BPDE3ACYP11B1CYP11B2
SCHEMBL91992 0.85 ALDH1A1 (0.53) KIF11PDE3BPDE3ACYP11B1CYP11B2
SCHEMBL15834317 0.85 MMP3 (0.63) KIF11PDE3BPDE3APDK2MMP3
SCHEMBL91862 0.85 ALDH1A1 (0.53) KIF11PDE3BPDE3ACYP11B1CYP11B2
SCHEMBL1773406 0.81 MAOB (0.64) KIF11MAOBMAOACYP11B2MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2935512-B1 REACTIVE MESOGENS MERCK PATENT GMBH (DE) 2018-12-26 — — EP disclosed
US-20150323722-A1 REACTIVE MESOGENS MERCK PATENT GMBH (DE) 2015-11-12 — — US disclosed
US-20150323722-A1 REACTIVE MESOGENS MERCK PATENT GMBH (DE) 2015-11-12 — — US disclosed
US-20150323722-A1 REACTIVE MESOGENS MERCK PATENT GMBH (DE) 2015-11-12 — — US disclosed
WO-2014094949-A1 REACTIVE MESOGENS MERCK PATENT GMBH (DE) 2014-06-26 — — 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-20150323722-A1 REACTIVE MESOGENS BLM, MAFG, MCRS1 KIF11 811/4885PDE3B 4351/4885PDE3A 4152/4885

“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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