SCHEMBL10197233

SCHEMBL10197233

COc1cc(N2CCOCC2)nc(Cl)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.50
KMT2A Q03164 3/20 0.49
MAPT P10636 3/20 0.49
CYP1A2 P05177 3/20 0.49
CYP2D6 P10635 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 4/20 0.46
HPGD P15428 4/20 0.46
GAA P10253 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
GLA P06280 1/20 0.46
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
MEN1 O00255 1/20 0.45
HTT P42858 2/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL18036125 0.85 SMN1; SMN2 (0.46) CYP2C19SMN1; SMN2ALDH1A1CRHBPCRHR2
SCHEMBL856718 0.83 MAPT (0.61) SMN1; SMN2KMT2AMAPTCYP1A2CYP2D6
SCHEMBL27508637 0.81 MAPT (0.44) CYP2C19SMN1; SMN2KMT2AMAPTCYP1A2
SCHEMBL28798344 0.81 CRHBP (0.65) CYP2C19SMN1; SMN2KMT2AMAPTCYP1A2
SCHEMBL18595209 0.81 CYP2C19 (0.59) CYP2C19SMN1; SMN2KMT2AMAPTCYP1A2
SCHEMBL29997984 0.80 L3MBTL1 (0.51) CYP2C19SMN1; SMN2MAPTCYP1A2L3MBTL1
SCHEMBL17827837 0.80 L3MBTL1 (0.51) CYP2C19SMN1; SMN2MAPTCYP1A2L3MBTL1
SCHEMBL856369 0.80 PDE10A (0.46) CYP2C19SMN1; SMN2KMT2AMAPTCYP1A2
SCHEMBL15938813 0.79 CYP2C19 (0.56) CYP2C19SMN1; SMN2KMT2AMAPTCYP1A2
SCHEMBL2531188 0.79 KMT2A (0.68) CYP2C19SMN1; SMN2KMT2AMAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173647-B2 PI 3-kinase inhibitors and methods of their use NOVARTIS AG (CH) 2012-05-08 US disclosed
CN-101801962-A Trisubstituted pyrimidine derivatives for the treatment of proliferative diseases ASTRAZENECA AB 2010-08-11 CN disclosed
US-20100048547-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2010-02-25 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-20100048547-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE PI4KA, PI4KB, PI4K2A CYP2C19 3775/4885SMN1; SMN2 3893/4885KMT2A 3052/4885

“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.