SCHEMBL8529470

SCHEMBL8529470

CCN1CCN(Cc2ccc(C)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 1.00
LMNA P02545 1/20 0.71
POLB P06746 1/20 0.71
KMT2A Q03164 4/20 0.59
MEN1 O00255 3/20 0.59
TSHR P16473 1/20 0.57
MAPK1 P28482 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
NPC1 O15118 2/20 0.54
KDM4E B2RXH2 1/20 0.54
TP53 P04637 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
RAB9A P51151 1/20 0.54
CXCR4 P61073 1/20 0.53
ATM Q13315 1/20 0.53
HRH3 Q9Y5N1 1/20 0.51
GAA P10253 1/20 0.51
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL19671025 0.94 ALDH1A1 (0.89) ALDH1A1LMNAPOLBKMT2AMEN1
SCHEMBL19099707 0.94 ALDH1A1 (0.89) ALDH1A1LMNAPOLBKMT2AMEN1
SCHEMBL11356824 0.91 LMNA (0.83) ALDH1A1LMNAPOLBKMT2AMEN1
SCHEMBL7989269 0.91 LMNA (0.83) ALDH1A1LMNAPOLBKMT2AMEN1
SCHEMBL7989530 0.91 LMNA (0.83) ALDH1A1LMNAPOLBKMT2AMEN1
SCHEMBL1045922 0.91 LMNA (0.83) ALDH1A1LMNAPOLBKMT2AMEN1
SCHEMBL1045984 0.85 ALDH1A1 (0.74) ALDH1A1LMNAPOLBKMT2AMEN1
SCHEMBL1045595 0.85 ALDH1A1 (0.74) ALDH1A1LMNAPOLBKMT2AMEN1
SCHEMBL8254073 0.85 ALDH1A1 (0.74) ALDH1A1LMNAPOLBKMT2AMEN1
SCHEMBL22802248 0.84 ALDH1A1 (0.72) ALDH1A1LMNAPOLBKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230138455-A1 METHODS OF DOSING OF APICAL SODIUM-DEPENDENT BILE ACID TRANSPORTER INHIBITORS (ASBTIs) MIRUM PHARMACEUTICALS, INC. (US) 2023-05-04 US disclosed
WO-2022026823-A1 CDK19-SELECTIVE INHIBITORS, AND METHODS OF USE THEREOF CHAN ZUCKERBERG BIOHUB, INC. (US) 2022-02-03 WO disclosed
WO-2021003314-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO INC. (US) 2021-01-07 WO disclosed
US-RE46511-E1 Fused pyrimidine derivatives for inhibition of tyrosine kinase activity HANMI SCIENCE CO., LTD. (KR) 2017-08-15 US disclosed
EP-2585470-B1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY HANMI SCIENCE CO LTD (KR) 2017-01-25 EP disclosed
WO-2016137506-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS AND THEIR THERAPEUTICAL APPLICATIONS NANTBIOSCIENCE, INC. (US) 2016-09-01 WO 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-20120129844-A1 N-[5-[2-(3,5-DIMETHOXYPHENYL)ETHYL]-1H-PYRAZOL-3-YL]-4-(3,4-DIMETHYLPIPERAZIN-1-YL)BENZAMIDE AND SALTS THEREOF ASTRAZENECA AB 2012-05-24 US disclosed
US-8129391-B2 N-[5-[2-(3,5-Dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-(3,4-dimethylpiperazin-1-yl)benzamide and salts thereof ASTRAZENECA AB (SE) 2012-03-06 US disclosed
US-20100273811-A1 N-[5-[2-(3,5-Dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-(3,4-dimethylpiperazin-1-yl)benzamide and Salts Thereof ASTRAZENECA AB 2010-10-28 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-20160229868-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, LTK, FYN ALDH1A1 3955/4885LMNA 4582/4885POLB 1530/4885
US-20100273811-A1 N-[5-[2-(3,5-Dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-(3,4-dimethylpiperazin-1-yl)benzamide and Salts Thereof PKD1, SDHA, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ALDH1A1 37/4885LMNA 1590/4885POLB 3647/4885
US-20120129844-A1 N-[5-[2-(3,5-DIMETHOXYPHENYL)ETHYL]-1H-PYRAZOL-3-YL]-4-(3,4-DIMETHYLPIPERAZIN-1-YL)BENZAMIDE AND SALTS THEREOF PKD1, SDHA, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ALDH1A1 37/4885LMNA 1590/4885POLB 3647/4885
US-20150045324-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, FYN, TYK2 ALDH1A1 3912/4885LMNA 4563/4885POLB 1584/4885
US-20230138455-A1 METHODS OF DOSING OF APICAL SODIUM-DEPENDENT BILE ACID TRANSPORTER INHIBITORS (ASBTIs) SLC10A1, SLC10A2, ABCB11 ALDH1A1 804/4885LMNA 3656/4885POLB 4788/4885
US-20130116213-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, FYN, TYK2 ALDH1A1 3912/4885LMNA 4563/4885POLB 1584/4885

“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.