SCHEMBL29959679

SCHEMBL29959679

c1ccc2c(-c3nccc4c3[nH]c3ccccc34)c[nH]c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 4/20 1.00
HTR5A P47898 4/20 1.00
HTR2C P28335 2/20 1.00
BCHE P06276 2/20 0.65
TDO2 P48775 11/20 0.63
IDO1 P14902 4/20 0.58
CCNB2 O95067 1/20 0.58
CDK1 P06493 1/20 0.58
CCNB1 P14635 1/20 0.58
CCNA2 P20248 1/20 0.58
CDK2 P24941 1/20 0.58
CCNA1 P78396 1/20 0.58
CDK5 Q00535 1/20 0.58
CDK5R1 Q15078 1/20 0.58
CCNB3 Q8WWL7 1/20 0.58
PIM1 P11309 1/20 0.56
PARP14 Q460N5 1/20 0.54
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
GABRP O00591 1/20 0.54

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
SCHEMBL3400592 1.00 HTR2B (1.00) HTR2BHTR5AHTR2CBCHETDO2
SCHEMBL27817460 0.84 TDO2 (0.80) HTR2BHTR5AHTR2CBCHETDO2
SCHEMBL29130512 0.80 BCHE (0.71) HTR2BHTR5AHTR2CBCHETDO2
SCHEMBL13003646 0.79 HTR2B (0.64) HTR2BHTR5AHTR2CBCHETDO2
SCHEMBL29130522 0.79 BCHE (0.69) HTR2BHTR5AHTR2CBCHETDO2
SCHEMBL28811802 0.79 BCHE (0.69) HTR2BHTR5AHTR2CBCHETDO2
SCHEMBL17102943 0.79 BCHE (0.69) HTR2BHTR5AHTR2CBCHETDO2
SCHEMBL24105915 0.78 TDO2 (1.00) HTR2BHTR5AHTR2CBCHETDO2
SCHEMBL30431392 0.78 TDO2 (1.00) HTR2BHTR5AHTR2CBCHETDO2
SCHEMBL8704484 0.76 HTR2C (0.61) HTR2BHTR5AHTR2CBCHETDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115093410-A Preparation method of beta-carboline compound 南京工业大学 2022-09-23 CN claimed
CN-120965688-A Nitrogen-containing compound with herb fragrance, preparation method thereof and herb fragrance base 波顿香料股份有限公司 2025-11-18 CN disclosed
US-12421232-B2 Kinase inhibitor compounds and compositions and methods of use ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2025-09-23 US disclosed
EP-3768267-B1 BETA-CARBOLINE DERIVATIVES AS DYRK1A INHIBITORS FOR THE TREATMENT OF E.G. DIABETES ICAHN SCHOOL MED MOUNT SINAI (US) 2025-05-14 EP disclosed
CN-119751487-A C-N bond bridged bis-beta-carboline derivative and preparation method and application thereof 石河子大学 2025-04-04 CN disclosed
CN-119661519-A Preparation method and application of novel carboline quaternary ammonium salt compound with photodynamic antibacterial effect 常州市妇幼保健院 2025-03-21 CN disclosed
CN-118164983-A Beta-carbolin [1',2':1,2] imidazole derivative, preparation method and application thereof, and pharmaceutical composition 石河子大学 2024-06-11 CN disclosed
US-20240132494-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL MED MOUNT SINAI (US) 2024-04-25 US disclosed
US-11866427-B2 Kinase inhibitor compounds and compositions and methods of use ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2024-01-09 US disclosed
CN-115093410-A Preparation method of beta-carboline compound 南京工业大学 2022-09-23 CN 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-20240132494-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE CSNK1A1, DYRK1A, CSNK1G3 HTR2B 1473/4885HTR5A 1591/4885HTR2C 1954/4885
US-11866427-B2 Kinase inhibitor compounds and compositions and methods of use CSNK1A1, CSNK1E, CSNK1G3 HTR2B 1510/4885HTR5A 1669/4885HTR2C 2170/4885
US-12421232-B2 Kinase inhibitor compounds and compositions and methods of use CSNK1A1, DYRK1A, CSNK1G3 HTR2B 1473/4885HTR5A 1591/4885HTR2C 1954/4885

“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.