SCHEMBL21580697

SCHEMBL21580697

COc1cc(Oc2cc(I)ccn2)ccc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 1/20 0.40
▸ PDGFRB P09619 1/20 0.37
▸ PDGFRA P16234 1/20 0.37
▸ AR P10275 5/20 0.37
▸ AXL P30530 1/20 0.37
▸ SCN10A Q9Y5Y9 3/20 0.37
▸ MAPK10 P53779 3/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SENP8 Q96LD8 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP6 Q9GZR1 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35

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
SCHEMBL21581648 0.85 AR (0.43) MRGPRX4PDGFRBPDGFRAARAXL
SCHEMBL21581646 0.83 PDGFRA (0.40) PDGFRBPDGFRAAXLALDH1A1CYP1A2
SCHEMBL21580645 0.83 PDGFRB (0.52) PDGFRBPDGFRAMAPK10CYP1A2CYP3A4
SCHEMBL21580706 0.81 PDGFRB (0.40) PDGFRBPDGFRAAR
SCHEMBL21580614 0.80 DYRK1A (0.43) PDGFRBPDGFRAKMT2AKDM4EHTR2A
SCHEMBL21580673 0.76 DRD1 (0.35) AXLSCN10ANPC1CASP3RAB9A
SCHEMBL21610244 0.76 MRGPRX4 (0.40) MRGPRX4ARMAPK10MEN1ALDH1A1
SCHEMBL14698940 0.75 HTR2A (0.44) MRGPRX4ARALDH1A1HTR2A
SCHEMBL7909509 0.73 CA12 (0.56) MRGPRX4ARMEN1ALDH1A1KMT2A
SCHEMBL31193485 0.73 CA12 (0.56) MRGPRX4ARMEN1ALDH1A1KMT2A

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
US-12090146-B2 Substituted-pyridinyl compounds and uses thereof BIONOMICS LIMITED (AU) 2024-09-17 — — US disclosed
EP-3853216-B1 3-[2-(PHENOXY)-4-PYRIDYL]-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES FOR THE TREATMENT OF COGNITIVE DYSFUNCTION AND CNS DISORDERS BIONOMICS LTD (AU) 2024-09-11 — — EP disclosed
EP-3853216-A1 SUBSTITUTED-PYRIDINYL COMPOUNDS AND USES THEREOF Bionomics Limited (AU) 2021-07-28 — — EP disclosed
WO-2019222816-A1 SUBSTITUTED-PYRIDINYL COMPOUNDS AND USES THEREOF BIONOMICS LIMITED (AU) 2019-11-28 — — WO disclosed
WO-2019222816-A1 SUBSTITUTED-PYRIDINYL COMPOUNDS AND USES THEREOF BIONOMICS LIMITED (AU) 2019-11-28 — — 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-12090146-B2 Substituted-pyridinyl compounds and uses thereof GABRE, GAP43, GRIN2A MRGPRX4 3581/4885PDGFRB 1464/4885PDGFRA 1473/4885

“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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