SCHEMBL538240

SCHEMBL538240

Fc1cc2cccnc2c2c1N(N1CCNCC1)N(F)C2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
SLC6A4 P31645 1/20 0.40
KDM4E B2RXH2 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
RAD52 P43351 1/20 0.34
UBE2N P61088 1/20 0.34
PRKCQ Q04759 1/20 0.34
PRKCD Q05655 1/20 0.34
SLC40A1 Q9NP59 4/20 0.33
ALDH1A1 P00352 1/20 0.33
PRKD1 Q15139 1/20 0.32
EPHX2 P34913 1/20 0.32
REN P00797 3/20 0.32
HTR1A P08908 1/20 0.32

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
SCHEMBL537270 0.68 HTR2C (0.44) HTR2AHTR2CSLC6A4KDM4EL3MBTL1
SCHEMBL3561450 0.65 SLC6A4 (0.68) HTR2AHTR2CSLC6A4KDM4EEPHX2
SCHEMBL538518 0.64 CCR1 (0.41) HTR2AHTR2CSLC6A4L3MBTL1
SCHEMBL29696054 0.63 HTR2A (0.64) HTR2AHTR2CSLC6A4KDM4EL3MBTL1
SCHEMBL28508845 0.60 HTR2A (0.56) HTR2AHTR2CSLC6A4PRKCQPRKCD
SCHEMBL538065 0.59 HTR2C (0.48) HTR2AHTR2CSLC6A4KDM4EL3MBTL1
SCHEMBL4143098 0.59 HTR2A (0.67) HTR2AHTR2CSLC6A4HTR1A
SCHEMBL6636331 0.59 HTR2A (0.67) HTR2AHTR2CSLC6A4KDM4EALDH1A1
SCHEMBL3557055 0.59 HTR2A (0.67) HTR2AHTR2CSLC6A4HTR1A
SCHEMBL4884479 0.59 HTR2A (0.67) HTR2AHTR2CSLC6A4KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8598159-B2 Therapeutic pyrazoloquinoline derivatives DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2013-12-03 US disclosed
EP-2166852-B1 THERAPEUTIC PYRAZOLOQUINOLINE DERIVATIVES HELICON THERAPEUTICS INC (US) 2012-02-08 EP disclosed
US-20110065693-A1 THERAPEUTIC PYRAZOLOQUINOLINE DERIVATIVES HELICON THERAPEUTICS, INC. (US) 2011-03-17 US disclosed
US-7872002-B2 Therapeutic pyrazoloquinoline derivatives HELICON THERAPEUTICS, INC. (US) 2011-01-18 US disclosed
EP-2166852-A1 THERAPEUTIC PYRAZOLOQUINOLINE DERIVATIVES Helicon Therapeutics, Inc. (US) 2010-03-31 EP disclosed
WO-2008154438-A1 THERAPEUTIC PYRAZOLOQUINOLINE DERIVATIVES HELICON THERAPEUTICS, INC. (US) 2008-12-18 WO disclosed
US-20080306049-A1 THERAPEUTIC PYRAZOLOQUINOLINE DERIVATIVES HELICON THERAPEUTICS, INC. (US) 2008-12-11 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 (2 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-20080306049-A1 THERAPEUTIC PYRAZOLOQUINOLINE DERIVATIVES GABRA5, GABRB1, GABRB2 HTR2A 532/4885HTR2C 241/4885SLC6A4 197/4885
US-20110065693-A1 THERAPEUTIC PYRAZOLOQUINOLINE DERIVATIVES GABRA5, GABRB1, GABRB2 HTR2A 532/4885HTR2C 241/4885SLC6A4 197/4885

“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.