SCHEMBL17422789

SCHEMBL17422789

Brc1ccc2cc(CCc3ccccc3)[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 1/20 0.43
▸ PDGFRB P09619 2/20 0.43
▸ EGFR P00533 1/20 0.43
▸ FLT1 P17948 1/20 0.43
▸ IDO1 P14902 1/20 0.39
▸ KDM5A P29375 1/20 0.39
▸ KDM5B Q9UGL1 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ MMP8 P22894 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ LOXL2 Q9Y4K0 1/20 0.39
▸ F2 P00734 1/20 0.39
▸ DAO P14920 2/20 0.38
▸ CYP19A1 P11511 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ HRH3 Q9Y5N1 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
SCHEMBL17422899 0.90 AHR (0.39) GPR84
SCHEMBL17179281 0.88 AHR (0.45) LOXL2HRH3
SCHEMBL17422813 0.84 DAO (0.42) EGFRIDO1LOXL2DAO
SCHEMBL17433389 0.81 CYP19A1 (0.45) IDO1LOXL2CYP19A1
SCHEMBL17422721 0.81 DAO (0.42) IDO1LOXL2DAO
SCHEMBL3195577 0.81 LOXL2 (0.58) GPR84IDO1LOXL2HRH3
SCHEMBL17422747 0.80 IDO1 (0.42) IDO1LOXL2F2CYP19A1NPC1
SCHEMBL17433378 0.80 OPRK1 (0.53) IDO1
SCHEMBL25445052 0.80 GPR84 (0.47) GPR84IDO1KDM5AKDM5BF2
SCHEMBL17422831 0.79 NOS1 (0.38) IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170216252-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS SIMON FRASER UNIVERSITY (CA) 2017-08-03 — — US disclosed
US-20170216252-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS SIMON FRASER UNIVERSITY (CA) 2017-08-03 — — US disclosed
WO-2016004513-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS SIMON FRASER UNIVERSITY (CA) 2016-01-14 — — WO disclosed
WO-2016004513-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS SIMON FRASER UNIVERSITY (CA) 2016-01-14 — — 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-20170216252-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS PDK1, PDK3, PDK2 GPR84 3320/4885PDGFRB 3676/4885EGFR 3586/4885

“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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