SCHEMBL21743331

SCHEMBL21743331

C=N/C(=C\C=C/C)c1cc(-c2ccccc2)cc(-c2ccccn2)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 3/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ CCR1 P32246 3/20 0.34
▸ CCR5 P51681 3/20 0.34
▸ CCR8 P51685 3/20 0.34
▸ SLC2A1 P11166 1/20 0.34
▸ MCL1 Q07820 2/20 0.33
▸ GPR39 O43194 1/20 0.33
▸ ADORA3 P0DMS8 3/20 0.33
▸ CYP3A4 P08684 2/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ KDM4E B2RXH2 4/20 0.32
▸ LMNA P02545 4/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ HTT P42858 2/20 0.32
▸ TP53 P04637 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ HPGD P15428 1/20 0.32

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
SCHEMBL25887036 0.92 HIF1A (0.34) HSP90AA1L3MBTL1KDM4ELMNASMN1; SMN2
SCHEMBL21861168 0.91 MCL1 (0.40) HSP90AA1CCR1CCR5CCR8SLC2A1
SCHEMBL24762515 0.90 CNR2 (0.32) HSP90AA1MCL1KDM4ELMNASMN1; SMN2
SCHEMBL19313649 0.89 TRPV1 (0.33) HSP90AA1L3MBTL1CCR1CCR5CCR8
SCHEMBL23176879 0.86 SIRT2 (0.36) HSP90AA1CYP2C9KDM4ELMNASMN1; SMN2
SCHEMBL23764098 0.81 — —
SCHEMBL21935789 0.81 MAPK1 (0.30) RAB9AMAPK1
SCHEMBL20169567 0.80 KAT6A (0.35) HSP90AA1L3MBTL1CCR1CCR5CCR8
SCHEMBL24609840 0.79 CYP2C9 (0.32) CYP2C9LMNA
SCHEMBL21308670 0.78 CYP2C9 (0.31) HSP90AA1ADORA3CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200054647-A1 RUTHENIUM COMPLEXES FOR TREATING CANCER WHICH COMPRISES CANCER STEM CELLS UNIVERSIDADE DE SANTIAGO DE COMPOSTELA (ES) 2020-02-20 — — US 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-20200054647-A1 RUTHENIUM COMPLEXES FOR TREATING CANCER WHICH COMPRISES CANCER STEM CELLS MYC, MYCBP, MCL1 HSP90AA1 2364/4885L3MBTL1 1053/4885CCR1 3259/4885

“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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