SCHEMBL19322147

SCHEMBL19322147

NC(=O)c1ccc2nc(-c3ccc(Br)cc3)cn2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.74
▸ RAB9A P51151 7/20 0.74
▸ ALDH1A1 P00352 7/20 0.74
▸ KDM4E B2RXH2 6/20 0.74
▸ POLB P06746 3/20 0.74
▸ GAA P10253 2/20 0.74
▸ SMN1; SMN2 Q16637 2/20 0.74
▸ APP P05067 4/20 0.60
▸ PAX8 Q06710 1/20 0.60
▸ DYRK1A Q13627 5/20 0.60
▸ CLK1 P49759 4/20 0.60
▸ NR4A2 P43354 1/20 0.54
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ HSP90AA1 P07900 1/20 0.52
▸ RXFP1 Q9HBX9 1/20 0.52
▸ CHEK1 O14757 1/20 0.51
▸ AURKA O14965 1/20 0.51
▸ DAPK3 O43293 1/20 0.51
▸ JAK2 O60674 1/20 0.51

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
SCHEMBL1691332 0.86 DYRK1A (0.60) NPC1RAB9AALDH1A1KDM4EPOLB
SCHEMBL1691270 0.86 NR4A2 (0.71) NPC1RAB9AALDH1A1KDM4EPOLB
SCHEMBL31460615 0.85 ALDH1A1 (0.60) NPC1RAB9AALDH1A1KDM4EPOLB
SCHEMBL2126735 0.82 NPC1 (0.72) NPC1RAB9AALDH1A1KDM4EPOLB
SCHEMBL1691265 0.82 NR4A2 (0.57) NPC1RAB9AALDH1A1KDM4EPOLB
Bromide SCHEMBL1691882 0.81 NPC1 (0.70) NPC1RAB9AALDH1A1KDM4EPOLB
SCHEMBL5305546 0.80 NR4A2 (0.55) NPC1RAB9AALDH1A1KDM4EPOLB
SCHEMBL7605200 0.80 NPC1 (0.77) NPC1RAB9AALDH1A1KDM4EPOLB
Bromide SCHEMBL1691457 0.78 NPC1 (0.75) NPC1RAB9AALDH1A1KDM4EPOLB
SCHEMBL4157927 0.77 NPC1 (0.69) NPC1RAB9AALDH1A1KDM4EPOLB

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-10370373-B2 Antitumor derivatives for differentiation therapy THE CLEVELAND CLINIC FOUNDATION (US) 2019-08-06 — — US disclosed
US-20180194764-A1 ANTITUMOR DERIVATIVES FOR DIFFERENTIATION THERAPY CLEVELAND CLINIC FOUND (US) 2018-07-12 — — US disclosed
US-9926316-B2 Antitumor derivatives for differentiation therapy THE CLEVELAND CLINIC FOUNDATION (US) 2018-03-27 — — US disclosed
US-20170253589-A1 ANTITUMOR DERIVATIVES FOR DIFFERENTIATION THERAPY THE CLEVELAND CLINIC FOUNDATION 2017-09-07 — — 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 (3 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-20180194764-A1 ANTITUMOR DERIVATIVES FOR DIFFERENTIATION THERAPY MYD88, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS NPC1 3167/4885RAB9A 1723/4885ALDH1A1 3309/4885
US-20170253589-A1 ANTITUMOR DERIVATIVES FOR DIFFERENTIATION THERAPY MYD88, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS NPC1 3167/4885RAB9A 1723/4885ALDH1A1 3309/4885
US-10370373-B2 Antitumor derivatives for differentiation therapy MYD88, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS NPC1 3167/4885RAB9A 1723/4885ALDH1A1 3309/4885

“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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