SCHEMBL1433962

SCHEMBL1433962

Brc1cnc(N2CCNCC2)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 6/20 0.56
CHRNA4 P43681 6/20 0.56
PLD1 Q13393 1/20 0.46
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HTR2C P28335 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
HTR1A P08908 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
HTR2A P28223 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
CASP1 P29466 1/20 0.42
CASP4 P49662 1/20 0.42
CASP5 P51878 1/20 0.42

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
SCHEMBL30442450 1.00 CHRNB2 (0.56) CHRNB2CHRNA4PLD1KDM4EALDH1A1
SCHEMBL421586 0.82 CHRNB2 (0.41) CHRNB2CHRNA4ALDH1A1
SCHEMBL19482437 0.80 MAPT (0.42) CHRNB2CHRNA4ALDH1A1CYP1A2
SCHEMBL2629281 0.78 PLD1 (0.47) CHRNB2CHRNA4PLD1KDM4EALDH1A1
SCHEMBL25246367 0.77 PLD1 (0.46) CHRNB2CHRNA4PLD1KDM4EALDH1A1
SCHEMBL11271627 0.77 ALDH1A1 (0.56) CHRNB2CHRNA4PLD1KDM4EALDH1A1
SCHEMBL14916857 0.77 HRH3 (0.50) CHRNB2CHRNA4PLD1KDM4EALDH1A1
SCHEMBL420087 0.77 HRH4 (0.49) HRH3HRH4
SCHEMBL31296405 0.77 ALDH1A1 (0.56) CHRNB2CHRNA4PLD1KDM4EALDH1A1
SCHEMBL1763039 0.77 PLD1 (0.46) CHRNB2CHRNA4PLD1KDM4EALDH1A1

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 78 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12595265-B2 Inhibitors of activin receptor-like kinase BLUEPRINT MEDICINES CORPORATION (US) 2026-04-07 US disclosed
US-20240158398-A1 INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE BLUEPRINT MEDICINES CORPORATION 2024-05-16 US disclosed
CN-116284147-B Fluorescent probe for selectively detecting hNQO1 with high expression in tumor cells and application thereof 青岛大学 2024-05-10 CN disclosed
EP-4285996-A2 INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE Blueprint Medicines Corporation (US) 2023-12-06 EP disclosed
EP-3442977-B1 INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE BLUEPRINT MEDICINES CORP (US) 2023-06-28 EP disclosed
EP-3442977-B1 INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE BLUEPRINT MEDICINES CORP (US) 2023-06-28 EP disclosed
CN-116284147-A Fluorescent probe for selectively detecting hNQO1 with high expression in tumor cells and application thereof 青岛大学 2023-06-23 CN disclosed
EP-3856737-B1 HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2023-05-17 EP disclosed
US-11634422-B2 Inhibitors of activin receptor-like kinase BLUEPRINT MEDICINES CORPORATION (US) 2023-04-25 US disclosed
US-11634422-B2 Inhibitors of activin receptor-like kinase BLUEPRINT MEDICINES CORPORATION (US) 2023-04-25 US disclosed
US-20080119480-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2008-05-22 US disclosed
US-20080119480-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2008-05-22 US disclosed
EP-1909797-A2 DIPIPERAZINYL KETONES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2008-04-16 EP disclosed
US-7354924-B2 Composition and antiviral activity of substituted azaindoleoxoacetic piperazine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-08 US disclosed
US-7354924-B2 Composition and antiviral activity of substituted azaindoleoxoacetic piperazine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-08 US disclosed
US-20070049571-A1 Dipiperazinyl ketones and related analogues NEUROGEN CORPORATION 2007-03-01 US disclosed
US-20070049571-A1 Dipiperazinyl ketones and related analogues NEUROGEN CORPORATION 2007-03-01 US disclosed
US-20070049571-A1 Dipiperazinyl ketones and related analogues NEUROGEN CORPORATION 2007-03-01 US disclosed
WO-2007016496-A2 DIPIPERAZINYL KETONES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2007-02-08 WO disclosed
WO-2007016496-A2 DIPIPERAZINYL KETONES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2007-02-08 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 (5 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-20240158398-A1 INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE ACVR1, ACVR2A, ACVRL1 CHRNB2 469/4885CHRNA4 1867/4885PLD1 4163/4885
US-11634422-B2 Inhibitors of activin receptor-like kinase ACVR1, ACVR2A, ACVRL1 CHRNB2 469/4885CHRNA4 1867/4885PLD1 4163/4885
US-20080119480-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IDO1, IDO2 CHRNB2 4802/4885CHRNA4 4209/4885PLD1 1786/4885
US-20070049571-A1 Dipiperazinyl ketones and related analogues HRH4, HRH3, HRH1 CHRNB2 645/4885CHRNA4 427/4885PLD1 3255/4885
US-12595265-B2 Inhibitors of activin receptor-like kinase ACVR1, ACVRL1, ACVR2A CHRNB2 89/4885CHRNA4 403/4885PLD1 3624/4885

“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.