SCHEMBL12100718

SCHEMBL12100718

COc1cc(N)ccc1Oc1cccc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
EGFR P00533 1/20 0.49
LCK P06239 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.46
CYP3A4 P08684 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
SLC6A4 P31645 3/20 0.44
ALDH1A1 P00352 2/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HTR2A P28223 1/20 0.44
KCNH2 Q12809 1/20 0.44
TTR P02766 1/20 0.44
AR P10275 1/20 0.43
DHPS P49366 1/20 0.43

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
SCHEMBL3359198 0.83 L3MBTL1 (0.55) L3MBTL1SMN1; SMN2CYP3A4CYP1A2CYP2C9
SCHEMBL2529649 0.82 MRGPRX4 (0.51) L3MBTL1EGFRSMN1; SMN2CYP3A4CYP1A2
SCHEMBL15668510 0.82 ALDH1A1 (0.48) L3MBTL1SMN1; SMN2CYP3A4CYP1A2CYP2C9
SCHEMBL3811355 0.82 TTR (0.58) L3MBTL1SMN1; SMN2CYP3A4CYP1A2CYP2C9
SCHEMBL30222339 0.82 TTR (0.58) L3MBTL1SMN1; SMN2CYP3A4CYP1A2CYP2C9
SCHEMBL121306 0.81 SLC6A4 (0.61) L3MBTL1EGFRLCKSLC6A4SLC6A2
SCHEMBL24628562 0.80 SLC6A4 (0.56) L3MBTL1EGFRLCKCYP3A4CYP1A2
Hydrochloric Acid SCHEMBL5548964 0.80 TTR (0.57) L3MBTL1SMN1; SMN2CYP3A4CYP1A2CYP2C9
SCHEMBL23095 0.79 MAPT (0.56) L3MBTL1SMN1; SMN2CYP3A4KDM4EGAA
SCHEMBL29764086 0.79 MAPT (0.56) L3MBTL1SMN1; SMN2CYP3A4KDM4EGAA

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
EP-2424368-B1 PYRROLOTRIAZINE COMPOUNDS LOCUS PHARMACEUTICALS INC (US) 2014-12-31 EP disclosed
US-8765754-B2 Pyrrolotriazine compounds LOCUS PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
US-20120232054-A1 PYRROLOTRIAZINE COMPOUNDS LOCUS PHARMACEUTICALS, INC. (US) 2012-09-13 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-20120232054-A1 PYRROLOTRIAZINE COMPOUNDS BTK, SYK, ZAP70 L3MBTL1 851/4885EGFR 3296/4885LCK 7/4885

“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.