SCHEMBL6643085

SCHEMBL6643085

Nc1cc(N2CCNCC2)ccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.56
NCF1 P14598 1/20 0.56
PLD1 Q13393 1/20 0.56
HRH3 Q9Y5N1 1/20 0.51
HRH4 Q9H3N8 3/20 0.51
CHEK1 O14757 4/20 0.49
PIM1 P11309 1/20 0.49
PIM3 Q86V86 1/20 0.49
PIM2 Q9P1W9 1/20 0.49
BMPR1B O00238 1/20 0.48
BMPR1A P36894 1/20 0.48
ACVRL1 P37023 1/20 0.48
ACVR1 Q04771 1/20 0.48
CDK7 P50613 1/20 0.48
HTR1A P08908 2/20 0.48
HTR7 P34969 2/20 0.48
ADRB1 P08588 4/20 0.47
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL22988893 0.94 CHRNB2 (0.51) ADRB2NCF1PLD1HRH3HRH4
SCHEMBL1097561 0.83 CHKA (0.52) HRH4TP53THRBHTT
SCHEMBL15445062 0.83 ADRB2 (0.62) ADRB2NCF1PLD1HRH4CHEK1
SCHEMBL16212228 0.83 HRH4 (0.47) HRH4TP53THRBHTT
SCHEMBL6262576 0.81 HRH4 (0.54) HRH4TP53THRBHTT
SCHEMBL5847761 0.81 HRH4 (0.54) HRH4TP53THRBHTT
SCHEMBL5848445 0.79 LGMN (0.54) HRH4CHEK1THRBHTT
SCHEMBL30321663 0.79 LGMN (0.53) CHEK1TP53
SCHEMBL114416 0.79 LGMN (0.53) CHEK1TP53
SCHEMBL3173446 0.79 GAA (0.60) HRH3HRH4HTTHTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024123968-A1 RNA TARGETING COMPOUNDS AND USES THEREOF RANAR THERAPEUTICS, INC. (US) 2024-06-13 WO disclosed
US-20210340105-A1 AMINOPYRIDINE COMPOUNDS AND METHODS FOR THE PREPARATION AND USE THEREOF Cortexyme, Inc. (US) 2021-11-04 US disclosed
US-11059786-B2 Aminopyridine compounds and methods for the preparation and use thereof Cortexyme, Inc. (US) 2021-07-13 US disclosed
US-20200148642-A1 AMINOPYRIDINE COMPOUNDS AND METHODS FOR THE PREPARATION AND USE THEREOF Cortexyme, Inc. (US) 2020-05-14 US disclosed
EP-1373247-A2 SPIROISOQUINOLINE COMPOUNDS, METHODS FOR THEIR PREPARATION AND INTERMEDIATES THEREOF TANABE SEIYAKU CO., LTD. (JP) 2004-01-02 EP disclosed
WO-2002079189-A2 SPIROISOQUINOLINE COMPOUNDS, METHODS FOR THEIR PREPARATION AND INTERMEDIATES TANABE SEIYAKU CO., LTD. (JP) 2002-10-10 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 (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-20200148642-A1 AMINOPYRIDINE COMPOUNDS AND METHODS FOR THE PREPARATION AND USE THEREOF ENPEP, DNPEP, ANPEP ADRB2 2706/4885NCF1 3376/4885PLD1 2217/4885
US-11059786-B2 Aminopyridine compounds and methods for the preparation and use thereof ENPEP, DNPEP, ANPEP ADRB2 2706/4885NCF1 3376/4885PLD1 2217/4885
US-20210340105-A1 AMINOPYRIDINE COMPOUNDS AND METHODS FOR THE PREPARATION AND USE THEREOF ENPEP, DNPEP, ANPEP ADRB2 2706/4885NCF1 3376/4885PLD1 2217/4885

“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.