SCHEMBL506644

SCHEMBL506644

Cn1ccc2c(C#N)cccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.59
MAPT P10636 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MDM2 Q00987 1/20 0.45
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
RHEB Q15382 1/20 0.44
NQO2 P16083 1/20 0.43
PRKCQ Q04759 1/20 0.40
PRKCD Q05655 1/20 0.40
HSD11B1 P28845 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HTR6 P50406 1/20 0.39
PRMT5 O14744 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ASH1L Q9NR48 1/20 0.38
NR3C1 P04150 1/20 0.38
NR3C2 P08235 1/20 0.38

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
SCHEMBL3761717 0.81 MAPT (0.44) IMPDH2MAPTMEN1KMT2AMDM2
SCHEMBL3220763 0.77 IMPDH2 (0.42) IMPDH2MAPTMEN1KMT2AALDH1A1
SCHEMBL27983399 0.77 IMPDH2 (0.42) IMPDH2MAPTMEN1KMT2AALDH1A1
SCHEMBL20656048 0.77 NR3C1 (0.47) IMPDH2MAPTMEN1KMT2AALDH1A1
SCHEMBL27844923 0.75 MAPT (0.44) IMPDH2MAPTMEN1KMT2AALDH1A1
SCHEMBL30344324 0.74 IMPDH2 (1.00) IMPDH2MAPTMEN1KMT2AALDH1A1
SCHEMBL1778037 0.74 IMPDH2 (1.00) IMPDH2MAPTMEN1KMT2AALDH1A1
SCHEMBL14819171 0.74 IMPDH2 (0.43) IMPDH2KDM4EPRKCQPRKCDSMN1; SMN2
SCHEMBL4329685 0.74 HTR2C (0.62) IMPDH2MAPTMEN1KMT2AALDH1A1
SCHEMBL2262349 0.73 ASH1L (0.41) IMPDH2MAPTMEN1KMT2AMDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113564623-A Method for preparing isatin compound by electrochemically oxidizing N-substituted indole derivative 福建师范大学 2021-10-29 CN claimed
EP-4380943-A1 METHOD FOR THE SILYLATION OF A C-H BOND WITH A SILYLATED DIAZENE SORBONNE UNIVERSITE (FR) 2024-06-12 EP disclosed
WO-2023012494-A1 METHOD FOR THE SILYLATION OF A C-H BOND WITH A SILYLATED DIAZENE SORBONNE UNIVERSITE (FR) 2023-02-09 WO disclosed
WO-2023012494-A1 METHOD FOR THE SILYLATION OF A C-H BOND WITH A SILYLATED DIAZENE SORBONNE UNIVERSITE (FR) 2023-02-09 WO disclosed
CN-113564623-A Method for preparing isatin compound by electrochemically oxidizing N-substituted indole derivative 福建师范大学 2021-10-29 CN disclosed
EP-2906553-B1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI (HETERO )ARYL]-[2-(META BI (HETERO)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2019-06-26 EP disclosed
US-9868722-B2 Monocyclic pyrimidine/pyridine compounds as inhibitors of P97 complex CLEAVE BIOSCIENCES, INC. (US) 2018-01-16 US disclosed
CN-106458996-A Fused pyrimidines as inhibitors of the p97 complex 克里弗生物科学公司 2017-02-22 CN disclosed
US-9493446-B2 Orexin receptor antagonists which are [ortho bi-(hetero-)aryl]-[2-(meta bi-(hetero-)aryl)-pyrrolidin-1-yl]-methanone derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-11-15 US disclosed
US-9493446-B2 Orexin receptor antagonists which are [ortho bi-(hetero-)aryl]-[2-(meta bi-(hetero-)aryl)-pyrrolidin-1-yl]-methanone derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-11-15 US disclosed
US-7196102-B2 Calcium receptor modulating agents AMGEN INC. (US) 2007-03-27 US disclosed
US-7196102-B2 Calcium receptor modulating agents AMGEN INC. (US) 2007-03-27 US disclosed
US-7196102-B2 Calcium receptor modulating agents AMGEN INC. (US) 2007-03-27 US disclosed
EP-1720836-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
WO-2005082859-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2005-09-09 WO disclosed
US-20050143426-A1 Osteoporosis, bone disorders, or diseases associated with excessive secretion of PTH, such as hyperparathyroidism; reduce or inhibit parathyroid hormone (PTH) secretion AMGEN INC. 2005-06-30 US disclosed
US-6908935-B2 Calcium receptor modulating agents AMGEN INC. (US) 2005-06-21 US disclosed
EP-1509497-A1 CALCIUM RECEPTOR MODULATING ARYLALKYLAMINES Amgen Inc. (US) 2005-03-02 EP disclosed
US-20040082625-A1 Calcium receptor modulating agents AMGEN INC. 2004-04-29 US disclosed
WO-2003099776-A1 CALCIUM RECEPTOR MODULATING ARYLALKYLAMINES AMGEN INC. (US) 2003-12-04 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 (2 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-20040082625-A1 Calcium receptor modulating agents PTH1R, CASR, CALCR IMPDH2 3914/4885MAPT 2762/4885MEN1 668/4885
US-20050143426-A1 Osteoporosis, bone disorders, or diseases associated with excessive secretion of PTH, such as hyperparathyroidism; reduce or inhibit parathyroid hormone (PTH) secretion PTH1R, PTMS, SOST IMPDH2 2755/4885MAPT 1739/4885MEN1 70/4885

“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.