SCHEMBL14924037

SCHEMBL14924037

CC(C)c1ccc(CN2CCC(N(C)C)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.50
▸ HTT P42858 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ PARP1 P09874 4/20 0.46
▸ HRH3 Q9Y5N1 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ PARP2 Q9UGN5 1/20 0.46
▸ BCHE P06276 2/20 0.45
▸ IDH1 O75874 1/20 0.45
▸ TNKS O95271 1/20 0.45
▸ FAAH O00519 2/20 0.44
▸ MAOB P27338 1/20 0.44
▸ ACHE P22303 1/20 0.44

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
SCHEMBL14924041 0.91 LTA4H (0.52) ALDH1A1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL19178207 0.88 PARP1 (0.44) ALDH1A1PARP1HRH3PARP2IDH1
SCHEMBL14846571 0.88 PARP1 (0.44) ALDH1A1PARP1HRH3PARP2IDH1
SCHEMBL24246892 0.84 ALDH1A1 (0.46) ALDH1A1HTTSMN1; SMN2HRH3LMNA
SCHEMBL4260843 0.84 LMNA (0.57) ALDH1A1PARP1HRH3LMNAPARP2
SCHEMBL21190296 0.83 BCHE (0.54) ALDH1A1SMN1; SMN2LMNABCHEFAAH
SCHEMBL3605410 0.83 ALDH1A1 (0.53) ALDH1A1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL24451870 0.82 PDE2A (0.47) ALDH1A1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL17465246 0.82 HRH3 (0.69) ALDH1A1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL12074554 0.82 ALDH1A1 (0.56) ALDH1A1MEN1KMT2APARP1HRH3

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
US-20220168313-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2022-06-02 — — US disclosed
US-10633350-B2 Diphenyl derivatives and uses thereof NOVARTIS AG (CH) 2020-04-28 — — US disclosed
US-20190077773-A1 DIPHENYL DERIVATIVES AND USES THEREOF NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2019-03-14 — — 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 (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-20190077773-A1 DIPHENYL DERIVATIVES AND USES THEREOF MYOF, NGF, MUSK ALDH1A1 921/4885HTT 1870/4885SMN1; SMN2 7/4885
US-20160229868-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, LTK, FYN ALDH1A1 3955/4885HTT 4145/4885SMN1; SMN2 3453/4885
US-20220168313-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, VHL ALDH1A1 2242/4885HTT 901/4885SMN1; SMN2 4032/4885
US-10633350-B2 Diphenyl derivatives and uses thereof MYOF, NGF, MUSK ALDH1A1 921/4885HTT 1870/4885SMN1; SMN2 7/4885
US-20150045324-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, FYN, TYK2 ALDH1A1 3912/4885HTT 4208/4885SMN1; SMN2 3653/4885
US-20130116213-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, FYN, TYK2 ALDH1A1 3912/4885HTT 4208/4885SMN1; SMN2 3653/4885

“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.

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