SCHEMBL188449

SCHEMBL188449

CN(C)CC(O)COc1ccc(N)cc1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.65
HTT P42858 1/20 0.65
ALDH1A1 P00352 1/20 0.61
HPGD P15428 1/20 0.61
CDK4 P11802 10/20 0.51
CDK2 P24941 5/20 0.48
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 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
Hydrochloric Acid SCHEMBL5257349 0.98 HIF1A (0.68) HIF1AHTTALDH1A1HPGDCDK4
Hydrochloric Acid SCHEMBL5396629 0.98 HIF1A (0.68) HIF1AHTTALDH1A1HPGDCDK4
SCHEMBL22639742 0.84 CDK4 (0.67) HIF1AHTTALDH1A1HPGDCDK4
SCHEMBL19405224 0.84 CDK4 (0.67) HIF1AHTTALDH1A1HPGDCDK4
SCHEMBL3575066 0.83 POLB (0.57) HIF1AHTTALDH1A1POLBTDP1
SCHEMBL7934862 0.83 MAPT (0.55) HTTALDH1A1POLBSMN1; SMN2TDP1
SCHEMBL6223039 0.83 MAPK1 (0.66) HIF1AHTTALDH1A1HPGDCDK4
SCHEMBL258823 0.82 HIF1A (0.75) HIF1AHTTALDH1A1HPGDCDK4
SCHEMBL188859 0.81 TDP1 (0.53) HIF1AHTTALDH1A1HPGDSMN1; SMN2
SCHEMBL6049252 0.80 TDP1 (0.55) ALDH1A1POLBSMN1; SMN2TDP1

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11273154-B2 Azole compounds as ubiquitin-specific protease USP7 inhibitors PROGENRA, INC. (US) 2022-03-15 US disclosed
WO-2018160944-A1 AZOLE COMPOUNDS AS UBIQUITIN-SPECIFIC PROTEASE USP7 INHIBITORS PROGENRA, INC. (US) 2018-09-07 WO disclosed
US-8288396-B2 Pyrimidopyrimidoindazole derivative MSDKK (JP) 2012-10-16 US disclosed
US-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-05-31 US disclosed
EP-2401281-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-01-04 EP disclosed
WO-2010098367-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-09-02 WO disclosed
WO-2010098367-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-09-02 WO disclosed
US-7642270-B2 5-oxo-5,8-dihydro-pyrido-pyrimidine as inhibitors of c-fms kinase JANSSEN PHARMACEUTICA N.V. (BE) 2010-01-05 US disclosed
US-7582630-B2 Pyradazine compounds as GSK-3 inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-09-01 US disclosed
US-7563781-B2 Triazolopyrimidine derivatives JANSSEN PHARMACEUTICA NV (BE) 2009-07-21 US disclosed
US-6670368-B1 Anti-cell-proliferation (such as anti-cancer); inhibitors ofcell cycle kinases, particularly CDK2, CDK4, and CDK6; 4-(4-(2- hydroxy-3- (N,N-dimethylamino)propoxy)anilino)-2-(2,5-dimethylphenoxy) pyrimidine; ASTRAZENECA AB (SE) 2003-12-30 US disclosed
EP-1214318-B1 IMIDAZO[1,2-A]PYRIDINE AND PYRAZOLO[2,3-A]PYRIDINE DERIVATIVES ASTRAZENECA AB (SE) 2003-10-08 EP disclosed
WO-2003051886-A1 PYRAZOLOPYRIDAZINE DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 2003-06-26 WO disclosed
WO-2002066480-A2 2-ARYLAMINO-PYRIMIDINES FOR THE TREATMENT OF GSK3-RELATED DISORDERS ASTRAZENECA AB (SE) 2002-08-29 WO disclosed
EP-1214318-A1 IMIDAZO[1,2-A]PYRIDINE AND PYRAZOLO[2,3-A]PYRIDINE DERIVATIVES AstraZeneca AB (SE) 2002-06-19 EP disclosed
EP-1169307-A1 PYRIMIDINE COMPOUNDS WITH PHARMACEUTICAL ACTIVITY AstraZeneca AB (SE) 2002-01-09 EP disclosed
EP-1107957-A1 PYRIMIDINE COMPOUNDS AstraZeneca AB (SE) 2001-06-20 EP disclosed
WO-2001014375-A1 IMIDAZO[1,2-A]PYRIDINE AND PYRAZOLO[2,3-A]PYRIDINE DERIVATIVES ASTRAZENECA AB (SE) 2001-03-01 WO disclosed
WO-2000059892-A1 PYRIMIDINE COMPOUNDS WITH PHARMACEUTICAL ACTIVITY ASTRAZENECA AB (SE) 2000-10-12 WO disclosed
WO-2000012485-A1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2000-03-09 WO 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 (2 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-11273154-B2 Azole compounds as ubiquitin-specific protease USP7 inhibitors USP7, USP1, USP2 HIF1A 2497/4885HTT 3722/4885ALDH1A1 2210/4885
US-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE WEE1, WEE2, DCK HIF1A 1243/4885HTT 4847/4885ALDH1A1 1119/4885

“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.