SCHEMBL17987889

SCHEMBL17987889

C/C(=N\Nc1nc2ccc(C#N)cc2s1)c1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.54
DYRK1A Q13627 1/20 0.54
MAOA P21397 2/20 0.53
MAOB P27338 2/20 0.53
ALDH1A1 P00352 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
HIF1A Q16665 1/20 0.50
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
HTT P42858 3/20 0.47
MAPT P10636 3/20 0.47
OPRK1 P41145 2/20 0.47
KMT2A Q03164 3/20 0.47
PAX8 Q06710 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
CSNK1D P48730 1/20 0.45
CSNK1G2 P78368 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL17987886 0.92 HSP90AA1 (0.54) HSP90AA1DYRK1AMAOAMAOBALDH1A1
SCHEMBL17985741 0.84 RAB9A (0.65) HSP90AA1DYRK1AMAOAMAOBALDH1A1
SCHEMBL17985747 0.83 HSP90AA1 (0.76) HSP90AA1MAOAMAOBALDH1A1CYP1A2
SCHEMBL17987882 0.82 SCD (0.61) HSP90AA1DYRK1AMAOAMAOBALDH1A1
SCHEMBL17987824 0.79 HSP90AA1 (0.59) HSP90AA1MAOAMAOBALDH1A1CYP1A2
SCHEMBL17987872 0.78 NPC1 (0.57) HSP90AA1MAOAMAOBALDH1A1CYP1A2
SCHEMBL17963013 0.77 HSP90AA1 (0.57) HSP90AA1DYRK1AMAOAMAOBALDH1A1
SCHEMBL17987828 0.76 NPC1 (0.53) HSP90AA1MAOAMAOBALDH1A1CYP1A2
SCHEMBL17987878 0.75 HSP90AA1 (0.55) HSP90AA1DYRK1AMAOAMAOBALDH1A1
SCHEMBL19449266 0.75 MAOA (0.61) HSP90AA1MAOAMAOBALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10828288-B2 Hydrazone derivatives for the treatment of cancer RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-11-10 US disclosed
WO-2016123253-A1 HYDRAZNE DERIVATIVES FOR THE TREATMENT OF CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-08-04 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-10828288-B2 Hydrazone derivatives for the treatment of cancer H1-3, H1-5, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 HSP90AA1 1018/4885DYRK1A 2221/4885MAOA 3102/4885

“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.