SCHEMBL1108274

SCHEMBL1108274

CCc1ccc(-c2ccnc(Cl)n2)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
AKT3 Q9Y243 2/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GRIN2B Q13224 4/20 0.36
PRKCI P41743 1/20 0.35
PTGS2 P35354 1/20 0.34
CYP2C19 P33261 5/20 0.33
CYP2A6 P11509 5/20 0.33
CYP2C9 P11712 4/20 0.33
CYP2D6 P10635 4/20 0.33
CYP3A4 P08684 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2E1 P05181 2/20 0.33
CYP2B6 P20813 2/20 0.33
CYP2C8 P10632 1/20 0.33

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
SCHEMBL1098144 0.83 CYP2A6 (0.49) MEN1KMT2AAKT3ALDH1A1MAPT
SCHEMBL15087871 0.83 DPP4 (0.44) MEN1KMT2AAKT3ALDH1A1MAPT
SCHEMBL2975938 0.79 MEN1 (0.40) MEN1KMT2AAKT3ALDH1A1MAPT
SCHEMBL2980443 0.79 DKK1 (0.43) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL2977591 0.78 SMN1; SMN2 (0.39) MEN1KMT2ANPC1RAB9AAKT3
SCHEMBL4482126 0.78 IKBKB (0.45) MEN1KMT2AAKT3ALDH1A1MAPT
SCHEMBL12653224 0.78 LMNA (0.48) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL2984634 0.77 AKT3 (0.40) MEN1KMT2ANPC1RAB9AAKT3
SCHEMBL2984079 0.77 ALDH1A1 (0.58) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL11990079 0.76 AKT3 (0.45) MEN1KMT2ANPC1RAB9AAKT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20130172338-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES CELL THERAPEUTICS, INC. (US) 2013-07-04 US disclosed
US-20120196855-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD. (SG) 2012-08-02 US disclosed
US-8153632-B2 Oxygen linked pyrimidine derivatives S*BIO PTE LTD. (SG) 2012-04-10 US disclosed
US-20090075999-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD. (SG) 2009-03-19 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 (4 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-20090075999-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES DPYD, TK2, TK1 MEN1 4071/4885KMT2A 1784/4885NPC1 3990/4885
US-20130172338-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES DPYD, TK2, TK1 MEN1 4071/4885KMT2A 1784/4885NPC1 3990/4885
US-20170112846-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES DPYD, TK2, TK1 MEN1 4071/4885KMT2A 1784/4885NPC1 3990/4885
US-20120196855-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES DPYD, TK2, TK1 MEN1 4071/4885KMT2A 1784/4885NPC1 3990/4885

“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.