SCHEMBL12845584

SCHEMBL12845584

COc1cc(OCCN2CCOCC2)c(OC)cc1C

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.64
POLB P06746 1/20 0.60
ALDH1A1 P00352 1/20 0.52
NPC1 O15118 1/20 0.51
HTR2C P28335 3/20 0.51
HTR2B P41595 3/20 0.51
HTR2A P28223 1/20 0.51
TSHR P16473 2/20 0.50
CYP2D6 P10635 1/20 0.50
PDPK1 O15530 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SRC P12931 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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 1.00 SYK (0.64) SYKPOLBALDH1A1NPC1HTR2C
SCHEMBL14420826 0.85 POLB (0.67) SYKPOLBALDH1A1NPC1TSHR
SCHEMBL4088385 0.84 SYK (0.59) SYKPOLBHTR2CHTR2BHTR2A
SCHEMBL12781713 0.82 SYK (0.56) SYKPOLBHTR2CHTR2BHTR2A
SCHEMBL12409038 0.82 SYK (0.71) SYKPOLBALDH1A1NPC1HTR2C
SCHEMBL13963827 0.82 SYK (0.71) SYKPOLBALDH1A1NPC1HTR2C
SCHEMBL12311750 0.81 NPC1 (0.70) SYKPOLBALDH1A1NPC1HTR2B
SCHEMBL1911850 0.81 NPC1 (0.66) SYKPOLBALDH1A1NPC1HTR2B
SCHEMBL14399504 0.79 SYK (0.53) SYKPOLBALDH1A1HTR2CHTR2B
SCHEMBL4106609 0.79 CHEK1 (0.60) SYKPOLBALDH1A1NPC1HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902239-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-08 US disclosed
US-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 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-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K1, MAP3K5 SYK 782/4885POLB 2085/4885ALDH1A1 3235/4885

“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.