SCHEMBL823899

SCHEMBL823899

OCc1ccc(-c2ccnc(Cl)n2)o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.43
CYP2C19 P33261 3/20 0.41
PDE5A O76074 4/20 0.40
ALDH1A1 P00352 6/20 0.37
KDM4E B2RXH2 4/20 0.37
MAPT P10636 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
NPSR1 Q6W5P4 1/20 0.35
TP53 P04637 2/20 0.35
POLB P06746 1/20 0.35
HIF1A Q16665 5/20 0.35
EPAS1 Q99814 5/20 0.35
NPC1 O15118 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
HPGD P15428 2/20 0.35
RAB9A P51151 2/20 0.35
GMNN O75496 1/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL1108277 0.84 DNMT1 (0.36) CYP2A6CYP2C19MAPTNPC1CYP1A2
SCHEMBL15087867 0.80 PDE5A (0.38) CYP2A6CYP2C19PDE5AALDH1A1KDM4E
SCHEMBL18793016 0.75
SCHEMBL823939 0.75
SCHEMBL3327076 0.75 RAB9A (0.41) ALDH1A1KDM4EMAPTSMN1; SMN2NPSR1
SCHEMBL1097916 0.72 KMO (0.36) CYP2C19KDM4EMAPTNPC1CYP1A2
SCHEMBL823936 0.71 ALDH1A1 (0.46) CYP2C19ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL24304833 0.70 ALDH1A1 (0.55) CYP2A6CYP2C19PDE5AALDH1A1KDM4E
SCHEMBL18171776 0.70 GABRA1 (0.41) ALDH1A1KDM4EMAPTSMN1; SMN2TP53
SCHEMBL1098144 0.69 CYP2A6 (0.49) CYP2A6ALDH1A1MAPTHIF1AEPAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220241291-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES SOBI, INC. 2022-08-04 US disclosed
US-11135227-B2 Oxygen linked pyrimidine derivatives CTI BIOPHARMA CORP. (US) 2021-10-05 US disclosed
US-20200071339-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES CTI BIOPHARMA CORP. (US) 2020-03-05 US disclosed
US-20170112846-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES CTI BIOPHARMA CORP. (US) 2017-04-27 US disclosed
US-20170112846-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES CTI BIOPHARMA CORP. (US) 2017-04-27 US disclosed
US-9573964-B2 Oxygen linked pyrimidine derivatives CTI BIOPHARMA CORP. (US) 2017-02-21 US disclosed
US-9573964-B2 Oxygen linked pyrimidine derivatives CTI BIOPHARMA CORP. (US) 2017-02-21 US disclosed
US-9133214-B2 Heteroalkyl linked pyrimidine derivatives S*BIO PTE LTD (SG) 2015-09-15 US disclosed
US-9133214-B2 Heteroalkyl linked pyrimidine derivatives S*BIO PTE LTD (SG) 2015-09-15 US disclosed
EP-1951729-B1 OXYGEN LINKED PYRIMIDINE DERIVATIVES CELL THERAPEUTICS INC (US) 2014-06-25 EP disclosed
US-8143255-B2 Heteroalkyl linked pyrimidine derivatives S*BIO PTE LTD. (SG) 2012-03-27 US disclosed
US-8143255-B2 Heteroalkyl linked pyrimidine derivatives S*BIO PTE LTD. (SG) 2012-03-27 US disclosed
US-8143255-B2 Heteroalkyl linked pyrimidine derivatives S*BIO PTE LTD. (SG) 2012-03-27 US disclosed
EP-1951730-B1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES S BIO PTE LTD (SG) 2010-05-26 EP disclosed
US-20090258886-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD. (SG) 2009-10-15 US disclosed
US-20090258886-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD. (SG) 2009-10-15 US disclosed
US-20090075999-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD. (SG) 2009-03-19 US disclosed
US-20090075999-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD. (SG) 2009-03-19 US disclosed
WO-2007058627-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD (SG) 2007-05-24 WO disclosed
WO-2007058628-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD (SG) 2007-05-24 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 (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-20220241291-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES DPYD, TK2, TK1 CYP2A6 2330/4885CYP2C19 2643/4885PDE5A 2545/4885
US-20090075999-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES DPYD, TK2, TK1 CYP2A6 2330/4885CYP2C19 2643/4885PDE5A 2545/4885
US-20090258886-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES TK1, TK2, DPYD CYP2A6 3291/4885CYP2C19 4344/4885PDE5A 3776/4885
US-20170112846-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES DPYD, TK2, TK1 CYP2A6 2330/4885CYP2C19 2643/4885PDE5A 2545/4885
US-11135227-B2 Oxygen linked pyrimidine derivatives DPYD, TK2, TK1 CYP2A6 2330/4885CYP2C19 2643/4885PDE5A 2545/4885
US-20200071339-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES DPYD, TK2, TK1 CYP2A6 2330/4885CYP2C19 2643/4885PDE5A 2545/4885

“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.