SCHEMBL4088385

SCHEMBL4088385

COc1cc(OC)c(OCCN2CCOCC2)cc1N

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.59
POLB P06746 1/20 0.52
HTR2C P28335 4/20 0.52
HTR2B P41595 3/20 0.52
KIT P10721 1/20 0.51
PDPK1 O15530 1/20 0.51
TSHR P16473 2/20 0.49
CYP2D6 P10635 1/20 0.49
HTR2A P28223 1/20 0.47
CHEK1 O14757 2/20 0.46
EPHA2 P29317 1/20 0.46
KDR P35968 1/20 0.46
EPHB4 P54760 1/20 0.46

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
SCHEMBL13849354 0.84 SYK (0.64) SYKPOLBHTR2CHTR2BPDPK1
SCHEMBL12845584 0.84 SYK (0.64) SYKPOLBHTR2CHTR2BPDPK1
SCHEMBL16536992 0.83 CHEK1 (0.55) SYKPOLBHTR2CHTR2BPDPK1
SCHEMBL2085669 0.82 SYK (0.58) SYKPOLBHTR2CHTR2BKIT
SCHEMBL212928 0.82 HTR2C (0.59) SYKPOLBHTR2CHTR2BKIT
SCHEMBL29788588 0.81 ALDH1A1 (0.58) SYKHTR2BTSHRCYP2D6HTR2A
SCHEMBL375708 0.81 ALDH1A1 (0.58) SYKHTR2BTSHRCYP2D6HTR2A
SCHEMBL12781713 0.81 SYK (0.56) SYKPOLBHTR2CHTR2BPDPK1
SCHEMBL12312257 0.81 ALDH1A1 (0.58) SYKHTR2CHTR2BKITTSHR
SCHEMBL2088116 0.80 SYK (0.65) SYKPOLBHTR2CHTR2BTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131436-A1 Pyrimidine Derivatives NOVARTIS AG (CH) 2009-05-21 US disclosed
US-20090131436-A1 Pyrimidine Derivatives NOVARTIS AG (CH) 2009-05-21 US disclosed
US-20090131436-A1 Pyrimidine Derivatives NOVARTIS AG (CH) 2009-05-21 US disclosed
EP-1784392-A2 PYRIMIDINE DERIVATIVES Novartis AG (CH) 2007-05-16 EP disclosed
WO-2006021454-A2 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2006-03-02 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 (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-20090131436-A1 Pyrimidine Derivatives DPYD, TYMP, TYMS SYK 2801/4885POLB 52/4885HTR2C 2660/4885

“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.