SCHEMBL14636101

SCHEMBL14636101

C[C@H](c1nc(N)c2ccc(-c3ccc(N(C)C)nn3)nc2n1)c1ccccc1Br

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PTPN1 P18031 1/20 0.33
▸ ADORA2A P29274 1/20 0.31
▸ ADK P55263 1/20 0.30

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
SCHEMBL8161004 0.75 ADK (0.44) ADK
SCHEMBL14636102 0.73 NPC1 (0.36) NPC1USP2TP53PKMRAB9A
SCHEMBL13680688 0.60 CCR1 (0.57) NPC1USP2TP53PKMRAB9A
SCHEMBL10348831 0.59 NPC1 (1.00) NPC1USP2TP53PKMRAB9A
SCHEMBL5713283 0.58 HTT (0.44) —
SCHEMBL27040551 0.56 BACE1 (0.55) NPC1USP2TP53PKMRAB9A
SCHEMBL8319597 0.55 IDO1 (0.50) —
SCHEMBL28667411 0.55 IDO1 (0.50) —
SCHEMBL4278637 0.54 NPC1 (0.58) NPC1USP2TP53PKMRAB9A
SCHEMBL3735138 0.54 PTPN1 (0.70) PTPN1ADORA2A

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-20130023491-A1 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-01-24 — — 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-20130023491-A1 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE ADK, AHCY, IAPP NPC1 3466/4885USP2 1268/4885TP53 1572/4885

“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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