SCHEMBL14923991

SCHEMBL14923991

CC(C)c1ccc(N2CCC(CCO)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.53
▸ MAOB P27338 1/20 0.44
▸ MAPT P10636 6/20 0.43
▸ MAPK1 P28482 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ ALOX15 P16050 2/20 0.42
▸ ALOX12 P18054 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ HDAC3 O15379 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41

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
SCHEMBL14924002 0.87 HRH3 (0.56) HRH3MAOBMAPTMAPK1SMN1; SMN2
SCHEMBL23483081 0.82 HRH3 (0.57) HRH3MAOBMAPTMAPK1SMN1; SMN2
SCHEMBL14924425 0.82 GPR119 (0.47) MAOBMAPTALDH1A1
SCHEMBL2448590 0.82 MAPT (0.47) MAPTMAPK1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL15496520 0.79 HRH3 (0.61) HRH3MAOBMAPTMAPK1SMN1; SMN2
SCHEMBL26641521 0.79 MAPT (0.45) HRH3MAPTL3MBTL1TYMP
SCHEMBL24319216 0.79 SLC6A2 (0.47) MAPTL3MBTL1TYMP
SCHEMBL8133600 0.79 HRH3 (0.50) HRH3MAPTMAPK1ALDH1A1KDM4E
SCHEMBL18948302 0.79 MAPT (0.46) HRH3MAPTSMN1; SMN2LMNAPANK3
SCHEMBL18155147 0.78 MBTD1 (0.49) HRH3MAPTALDH1A1KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230065740-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2023-03-02 — — US disclosed
US-20230048132-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2023-02-16 — — US disclosed
US-20220220103-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2022-07-14 — — US disclosed
US-20220056037-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2022-02-24 — — 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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 HRH3 1824/4885MAOB 2737/4885MAPT 2828/4885
US-20220056037-A1 CYCLIN-DEPENDENT KINASE INHIBITORS CDK2, CDK1, CCNK HRH3 3383/4885MAOB 3650/4885MAPT 3636/4885
US-20230065740-A1 CYCLIN-DEPENDENT KINASE INHIBITORS CDK2, CDK1, CCNK HRH3 3383/4885MAOB 3650/4885MAPT 3636/4885
US-20220220103-A1 CYCLIN-DEPENDENT KINASE INHIBITORS CDK2, CDK1, CCNK HRH3 3383/4885MAOB 3650/4885MAPT 3636/4885
US-20150045324-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, FYN, TYK2 HRH3 1748/4885MAOB 2785/4885MAPT 2825/4885
US-20230048132-A1 CYCLIN-DEPENDENT KINASE INHIBITORS CDK2, CDK1, CCNK HRH3 3383/4885MAOB 3650/4885MAPT 3636/4885
US-20130116213-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, FYN, TYK2 HRH3 1748/4885MAOB 2785/4885MAPT 2825/4885

“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.

Send feedback