SCHEMBL538071

SCHEMBL538071

c1cnc2c(c1)ccc1c2cnn1N1CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.51
HTR2A P28223 1/20 0.51
SLC6A4 P31645 1/20 0.51
LMNA P02545 2/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPT P10636 2/20 0.39
GMNN O75496 1/20 0.39
TP53 P04637 1/20 0.39
HSP90AA1 P07900 1/20 0.39
MMP2 P08253 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MMP9 P14780 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
MMP8 P22894 1/20 0.39
CCR1 P32246 1/20 0.39
THPO P40225 1/20 0.39
MTOR P42345 1/20 0.39

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
SCHEMBL538772 0.84 L3MBTL1 (0.43) HTR2CHTR2ASLC6A4LMNAKDM4E
SCHEMBL537270 0.78 HTR2C (0.44) HTR2CHTR2ASLC6A4KDM4EMAPT
Hydrochloric Acid SCHEMBL3714263 0.73 HTR2C (0.43) HTR2CHTR2ASLC6A4KDM4EPLD1
SCHEMBL29521086 0.72 HTR2C (0.41) HTR2CHTR2ASLC6A4LMNAKDM4E
SCHEMBL8470553 0.72 HTR2C (0.41) HTR2CHTR2ASLC6A4LMNAKDM4E
Hydrochloric Acid SCHEMBL10583863 0.71 ADRA2A (0.41) HTR2CHTR2ASLC6A4LMNAKDM4E
SCHEMBL538065 0.71 HTR2C (0.48) HTR2CHTR2ASLC6A4LMNAKDM4E
SCHEMBL3680133 0.68 HTR2C (0.67) HTR2CHTR2ASLC6A4KDM4EPLD1
SCHEMBL1045944 0.68 HTR2A (1.00) HTR2CHTR2ASLC6A4LMNAKDM4E
Hydrochloric Acid SCHEMBL8597079 0.67 HTR2C (0.65) HTR2CHTR2ASLC6A4KDM4EPLD1

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 8 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
CN-101742908-A therapeutic pyrazoloquinoline derivatives HELICON THERAPEUTICS INC 2010-06-16 CN 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 HTR2C 241/4885HTR2A 532/4885SLC6A4 197/4885
US-20110065693-A1 THERAPEUTIC PYRAZOLOQUINOLINE DERIVATIVES GABRA5, GABRB1, GABRB2 HTR2C 241/4885HTR2A 532/4885SLC6A4 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.