SCHEMBL18502846

SCHEMBL18502846

CN[C@@H]1C[C@H]2CC[C@@H](C1)N2C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
CYP2C9 P11712 1/20 0.50
SLC6A2 P23975 5/20 0.43
CHRM1 P11229 4/20 0.43
SLC6A4 P31645 4/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
HRH1 P35367 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
HTR3A P46098 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
HTR3D Q70Z44 1/20 0.37

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
SCHEMBL25474174 1.00 LMNA (0.50) LMNACYP2C9SLC6A2CHRM1SLC6A4
SCHEMBL1573740 1.00 LMNA (0.50) LMNACYP2C9SLC6A2CHRM1SLC6A4
SCHEMBL1573739 1.00 LMNA (0.50) LMNACYP2C9SLC6A2CHRM1SLC6A4
SCHEMBL3582332 0.90 HTR3E (0.46) LMNACYP2C9SLC6A2CHRM1SLC6A4
SCHEMBL9381779 0.90 HTR3E (0.46) LMNACYP2C9SLC6A2CHRM1SLC6A4
SCHEMBL13778750 0.86 LMNA (0.40) LMNACYP2C9SLC6A2CHRM1SLC6A4
SCHEMBL15444631 0.80 HTR3A (0.34) LMNACYP2C9HTR3A
SCHEMBL20715143 0.80 LMNA (0.46) LMNACYP2C9SLC6A2CHRM1SLC6A4
SCHEMBL3408333 0.79 MEN1 (0.38) MEN1KMT2A
SCHEMBL3411137 0.78 HTR4 (0.31) LMNACYP2C9HTR4

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
EP-3733663-B1 1-[6-[[4-(PHENYLAMINO)-6-QUINAZOLINYL]OXY]-3-AZABICYCLO[3.1.1]HEPT-3-YL]-2-PROPEN-1-ONE DERIVATIVES AND RELATED COMPOUNDS AS IRREVERSIBLE INHIBITORS OF PAN-HER TYROSINE KINASE FOR THE TREATMENT OF CANCER CHENGDU JINRUI FOUND BIOTECH CO LTD (CN) 2023-05-17 EP disclosed
US-20210078958-A1 QUINAZOLINE DERIVATIVE AND USE THEREOF MEDSHINE DISCOVERY INC. (CN) 2021-03-18 US disclosed
EP-3733663-A1 QUINAZOLINE DERIVATIVE AND USE THEREOF Medshine Discovery Inc. (CN) 2020-11-04 EP disclosed
US-10717731-B2 Nitrogen-containing aromatic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2020-07-21 US disclosed
US-10329263-B2 Disubstituted 1, 2, 4-triazine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-25 US disclosed
US-10029993-B2 Disubstituted 1, 2, 4-triazine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-07-24 US disclosed
US-10029993-B2 Disubstituted 1, 2, 4-triazine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-07-24 US disclosed
US-20170044115-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-16 US disclosed
US-20170044115-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-16 US disclosed
US-20110201608-A1 SUBSTITUTED NAPHTHYRIDINES AND USE THEREOF AS MEDICINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-18 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 (6 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-10329263-B2 Disubstituted 1, 2, 4-triazine compound NR3C2, REN, NR5A1 LMNA 2988/4885CYP2C9 916/4885SLC6A2 2030/4885
US-20170044115-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND NR3C2, REN, CYP21A2 LMNA 3233/4885CYP2C9 803/4885SLC6A2 1806/4885
US-10717731-B2 Nitrogen-containing aromatic heterocyclic compound REN, NR3C2, NR5A1 LMNA 624/4885CYP2C9 1525/4885SLC6A2 847/4885
US-20210078958-A1 QUINAZOLINE DERIVATIVE AND USE THEREOF ABL1, ERBB2, FLT3 LMNA 4251/4885CYP2C9 129/4885SLC6A2 1028/4885
US-20110201608-A1 SUBSTITUTED NAPHTHYRIDINES AND USE THEREOF AS MEDICINES NR4A1, NR4A3, NR0B1 LMNA 2850/4885CYP2C9 36/4885SLC6A2 457/4885
US-10029993-B2 Disubstituted 1, 2, 4-triazine compound NR3C2, REN, NR5A1 LMNA 2988/4885CYP2C9 916/4885SLC6A2 2030/4885

“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.