SCHEMBL4092019

SCHEMBL4092019

COc1c2n(c3ccccc13)CCOC2

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.38
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
SMPD1 P17405 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 1/20 0.37
CNR1 P21554 2/20 0.36
HTT P42858 1/20 0.35
KDR P35968 1/20 0.35
GSK3B P49841 1/20 0.35
NPC1 O15118 1/20 0.35
PABPC1 P11940 1/20 0.35
EGFR P00533 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRNA7 P36544 1/20 0.34
KCNK3 O14649 1/20 0.34

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
SCHEMBL19930207 0.80 HTR2A (0.53) ATMHTR2AHTR2CKDM4EALDH1A1
SCHEMBL19960978 0.76 HTR2A (0.36) ATMHTR2AHTR2CKDM4EALDH1A1
SCHEMBL31486825 0.73 HTR2A (0.56) ATMHTR2AHTR2CKDM4EALDH1A1
Hydrochloric Acid SCHEMBL9573826 0.72 HTR2C (0.65) HTR2AHTR2CKDM4EMAPK1MAPT
SCHEMBL31486896 0.72 HTT (0.43) HTR2AHTR2CKDM4EALDH1A1HTT
SCHEMBL18202211 0.70 EGFR (0.41) ATMHTR2AHTR2CHTTGSK3B
SCHEMBL9663511 0.69 HTT (0.38) ATMHTR2AHTR2CKDM4EALDH1A1
SCHEMBL31486655 0.69 HTT (0.35) ATMHTR2AHTR2CKDM4EALDH1A1
SCHEMBL18202158 0.67 PRKDC (0.42) ALDH1A1MAPK1CNR1NPC1
SCHEMBL4049847 0.66 HTR6 (0.40) KDM4EALDH1A1MAPK1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192147-A1 [a]-FUSED INDOLE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-07-30 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-20090192147-A1 [a]-FUSED INDOLE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, RICTOR, PIK3C2A ATM 732/4885HTR2A 780/4885HTR2C 826/4885

“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.