SCHEMBL4042949

SCHEMBL4042949

COc1cc(N)cc(OCCN2CCN(C)CC2)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.47
SYK P43405 1/20 0.47
SRC P12931 3/20 0.45
POLB P06746 2/20 0.44
ABCB1 P08183 1/20 0.44
SPIN1 Q9Y657 1/20 0.42
MEN1 O00255 1/20 0.42
ABCC4 O15439 1/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
CHRM3 P20309 1/20 0.42
HTR2A P28223 1/20 0.42
MAPK1 P28482 1/20 0.42
SLC6A4 P31645 1/20 0.42
CYP2C19 P33261 1/20 0.42
SCN1A P35498 1/20 0.42

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
SCHEMBL6314286 0.91 SYK (0.56) SLC29A1SMN1; SMN2SYKPOLBABCB1
SCHEMBL2088116 0.86 SYK (0.65) SLC29A1SYKSRCPOLBCYP2D6
SCHEMBL7953036 0.86 SLC29A1 (0.50) SLC29A1SMN1; SMN2SYKSRCPOLB
SCHEMBL6313608 0.83 KDM4E (0.53) POLBABCB1HTR1B
SCHEMBL6992013 0.81 POLB (0.68) SMN1; SMN2SYKPOLBMEN1CYP2D6
SCHEMBL6319723 0.80 ALDH1A1 (0.50) SLC29A1SMN1; SMN2SYKSRCKCNH2
SCHEMBL4036604 0.80 CYP2D6 (0.60) SLC29A1SMN1; SMN2SYKSRCSPIN1
SCHEMBL21558093 0.79 ABCB1 (0.45) SYKPOLBABCB1MEN1KMT2A
SCHEMBL7954379 0.79 SLC29A1 (0.53) SLC29A1SMN1; SMN2SRCABCB1SPIN1
SCHEMBL4036350 0.79 KDM4E (0.47) POLBMEN1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013024282-A2 COMPOUNDS AND THEIR USES DOMAINEX LIMITED (GB) 2013-02-21 WO disclosed
EP-1562589-B1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2009-01-07 EP disclosed
US-6939874-B2 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. (US) 2005-09-06 US disclosed
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. 2004-04-01 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 (1 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-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use DPYD, TYMP, TPMT SLC29A1 12/4885SMN1; SMN2 1697/4885SYK 928/4885

“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.