SCHEMBL4077866

SCHEMBL4077866

O=c1[nH]cc(C2CCNC2)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.54
ADRB2 P07550 1/20 0.54
IKBKB O14920 2/20 0.41
CHUK O15111 2/20 0.41
CSF1R P07333 1/20 0.41
BTK Q06187 1/20 0.41
PARP1 P09874 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HTR6 P50406 1/20 0.40

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
Hydrochloric Acid SCHEMBL1719553 0.98 HTR2C (0.55) HTR2CADRB2IKBKBCHUKCSF1R
SCHEMBL1719804 0.90 HTR2C (0.66) HTR2CADRB2IKBKBCHUKPARP1
Hydrochloric Acid SCHEMBL1719768 0.89 HTR2C (0.67) HTR2CADRB2IKBKBCHUKPARP1
SCHEMBL1720378 0.81 HTR2A (0.48) HTR2CADRB2PARP1
SCHEMBL4072108 0.81 HTR3A (0.45) HTR2CADRB2PARP1
SCHEMBL1445576 0.81 HTR2C (0.81) HTR2CADRB2KDM4E
SCHEMBL30279603 0.81 HTR2C (0.81) HTR2CADRB2KDM4E
Hydrochloric Acid SCHEMBL1720653 0.80 HTR3A (0.44) HTR2CADRB2PARP1
Hydrochloric Acid SCHEMBL1720571 0.80 HTR2A (0.47) HTR2CADRB2PARP1
SCHEMBL11817106 0.79 HTR2C (0.46) HTR2CADRB2PARP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7501412-B2 Isoquinoline compounds and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-10 US claimed
US-20060094743-A1 Isoquinoline compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-05-04 US claimed
EP-1566380-A1 ISOQUINOLINE COMPOUNDS AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2005-08-24 EP claimed
EP-1566380-B1 ISOQUINOLINE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2012-01-11 EP disclosed
US-7501412-B2 Isoquinoline compounds and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-10 US disclosed
US-7501412-B2 Isoquinoline compounds and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-10 US disclosed
US-7501412-B2 Isoquinoline compounds and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-10 US disclosed
US-20060094743-A1 Isoquinoline compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-05-04 US disclosed
EP-1566380-A1 ISOQUINOLINE COMPOUNDS AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2005-08-24 EP 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-20060094743-A1 Isoquinoline compounds and medicinal use thereof PARP1, NQO1, PARP3 HTR2C 2811/4885ADRB2 3775/4885IKBKB 506/4885

“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.