SCHEMBL12082201

SCHEMBL12082201

Cc1ccc(N2CCC(N3CCCCC3)CC2)cc1

nearest known ligand 0.79

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 15/20 0.79
L3MBTL1 Q9Y468 12/20 0.79
MBTD1 Q05BQ5 3/20 0.66
TP53BP1 Q12888 3/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
L3MBTL4 Q8NA19 1/20 0.56
HRH3 Q9Y5N1 2/20 0.56
ADRB1 P08588 1/20 0.47

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
SCHEMBL12348444 0.98 L3MBTL3 (0.81) L3MBTL3L3MBTL1MBTD1TP53BP1KDM4E
SCHEMBL23682775 0.89 L3MBTL3 (1.00) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL15764103 0.86 L3MBTL3 (0.56) L3MBTL3L3MBTL1MBTD1HRH3ADRB1
SCHEMBL15764139 0.86 L3MBTL3 (0.56) L3MBTL3L3MBTL1MBTD1HRH3ADRB1
SCHEMBL2777044 0.86 L3MBTL3 (0.56) L3MBTL3L3MBTL1MBTD1HRH3ADRB1
SCHEMBL2777049 0.86 L3MBTL3 (0.56) L3MBTL3L3MBTL1MBTD1HRH3ADRB1
SCHEMBL12082369 0.84 L3MBTL3 (0.59) L3MBTL3L3MBTL1MBTD1TP53BP1KDM4E
SCHEMBL13616253 0.84 L3MBTL3 (0.59) L3MBTL3L3MBTL1MBTD1TP53BP1KDM4E
SCHEMBL82890 0.84 L3MBTL3 (0.59) L3MBTL3L3MBTL1MBTD1TP53BP1KDM4E
SCHEMBL82007 0.84 L3MBTL3 (0.58) L3MBTL3L3MBTL1MBTD1HRH3ADRB1

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-4169919-A1 PYRAZOLO[3,4-D]PYRIMIDINE-3-KETONE DERIVATIVE AS WEE-1 INHIBITOR Wigen Biomedicine Technology (Shanghai) Co., Ltd. (CN) 2023-04-26 EP disclosed
US-11324720-B2 Antiproliferative DNA polymerase inhibitor NEW YORK MEDICAL COLLEGE (US) 2022-05-10 US disclosed
US-RE46511-E1 Fused pyrimidine derivatives for inhibition of tyrosine kinase activity HANMI SCIENCE CO., LTD. (KR) 2017-08-15 US disclosed
US-20160229868-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY HANMI SCIENCE CO., LTD (KR) 2016-08-11 US disclosed
US-9345719-B2 Fused pyrimidine derivatives for inhibition of tyrosine kinase activity HANMI SCIENCE CO., LTD. (KR) 2016-05-24 US disclosed
US-8957065-B2 Fused pyrimidine derivatives for inhibition of tyrosine kinase activity HANMI SCIENCE CO., LTD (KR) 2015-02-17 US disclosed
US-20150045324-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY HANMI SCIENCE CO., LTD (KR) 2015-02-12 US disclosed
US-20130116213-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY HANMI SCIENCE CO., LTD. (KR) 2013-05-09 US disclosed
US-8258129-B2 4-heterocycloalkylpyri(mi)dines, process for the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-04 US disclosed
US-20090203673-A1 4-HETEROCYCLOALKYLPYRI(MI)DINES, PROCESS FOR THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-13 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 (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-20160229868-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, LTK, FYN L3MBTL3 3429/4885L3MBTL1 2596/4885MBTD1 754/4885
US-20150045324-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, FYN, TYK2 L3MBTL3 3628/4885L3MBTL1 2790/4885MBTD1 799/4885
US-11324720-B2 Antiproliferative DNA polymerase inhibitor POLB, POLI, PCNA L3MBTL3 2327/4885L3MBTL1 2141/4885MBTD1 3314/4885
US-20090203673-A1 4-HETEROCYCLOALKYLPYRI(MI)DINES, PROCESS FOR THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS CCNI, MKI67, CCNA1 L3MBTL3 4313/4885L3MBTL1 3852/4885MBTD1 2394/4885
US-20130116213-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, FYN, TYK2 L3MBTL3 3628/4885L3MBTL1 2790/4885MBTD1 799/4885

“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.