SCHEMBL22589794

SCHEMBL22589794

COCCOc1ccnc(C(C)=NNC(=S)N2CCC2)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 6/20 0.58
▸ HKDC1 Q2TB90 5/20 0.46
▸ MITF O75030 1/20 0.37
▸ DUSP3 P51452 1/20 0.35
▸ PTPN11 Q06124 1/20 0.35
▸ TOP2A P11388 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ PTBP1 P26599 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ HTR2A P28223 1/20 0.34

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
SCHEMBL22589793 1.00 HSP90AA1 (0.58) HSP90AA1HKDC1MITFDUSP3PTPN11
SCHEMBL22589664 0.88 HSP90AA1 (0.65) HSP90AA1HKDC1MITFALDH1A1HTT
SCHEMBL22589663 0.88 HSP90AA1 (0.65) HSP90AA1HKDC1MITFALDH1A1HTT
SCHEMBL22589679 0.82 TOP2A (0.38) HSP90AA1HKDC1TOP2AKDM4EALDH1A1
SCHEMBL24512426 0.80 HSP90AA1 (0.46) HSP90AA1HKDC1TOP2AKDM4EALDH1A1
SCHEMBL22589662 0.80 HSP90AA1 (0.38) HSP90AA1HKDC1TOP2AKDM4EALDH1A1
SCHEMBL29743153 0.80 HSP90AA1 (0.46) HSP90AA1HKDC1TOP2AKDM4EALDH1A1
SCHEMBL17975297 0.77 HSP90AA1 (0.65) HSP90AA1HKDC1MITFDUSP3PTPN11
SCHEMBL9321800 0.74 HSP90AA1 (1.00) HSP90AA1HKDC1MITFTOP2AKDM4E
SCHEMBL17975335 0.74 HSP90AA1 (1.00) HSP90AA1HKDC1MITFTOP2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12344626-B2 Pharmaceutical compounds and therapeutic methods RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2025-07-01 — — US disclosed
US-20220185827-A1 PHARMACEUTICAL COMPOUNDS AND THERAPEUTIC METHODS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2022-06-16 — — US disclosed
WO-2020219587-A1 PHARMACEUTICAL COMPOUNDS AND THERAPEUTIC METHODS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-10-29 — — 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-12344626-B2 Pharmaceutical compounds and therapeutic methods SLC30A5, SLC39A11, SLC30A7 HSP90AA1 2676/4885HKDC1 644/4885MITF 1052/4885
US-20220185827-A1 PHARMACEUTICAL COMPOUNDS AND THERAPEUTIC METHODS SLC30A5, SLC39A11, SLC30A7 HSP90AA1 2676/4885HKDC1 644/4885MITF 1052/4885

“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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