SCHEMBL537270

SCHEMBL537270

Fc1cc2cccnc2c2cnn(N3CCNCC3)c12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.44
HTR2A P28223 1/20 0.44
SLC6A4 P31645 1/20 0.44
PRKCQ Q04759 2/20 0.39
PRKCD Q05655 2/20 0.39
KDM4E B2RXH2 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
EPHX2 P34913 1/20 0.35
SLC40A1 Q9NP59 1/20 0.35
MAPT P10636 1/20 0.35
PRKD1 Q15139 1/20 0.35
RAD52 P43351 1/20 0.35
UBE2N P61088 1/20 0.35
ACVRL1 P37023 1/20 0.35
ACVR1 Q04771 1/20 0.35
PLD1 Q13393 1/20 0.34
NCF1 P14598 1/20 0.34
PRKCA P17252 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
SCHEMBL538071 0.78 HTR2C (0.51) HTR2CHTR2ASLC6A4KDM4EEPHX2
Hydrochloric Acid SCHEMBL3714263 0.70 HTR2C (0.43) HTR2CHTR2ASLC6A4KDM4EEPHX2
SCHEMBL3561450 0.69 SLC6A4 (0.68) HTR2CHTR2ASLC6A4KDM4EEPHX2
SCHEMBL29696054 0.69 HTR2A (0.64) HTR2CHTR2ASLC6A4PRKCQPRKCD
SCHEMBL538240 0.68 HTR2A (0.40) HTR2CHTR2ASLC6A4PRKCQPRKCD
SCHEMBL27810489 0.66 HTR2C (0.31) HTR2CHTR2ASLC6A4KDM4E
SCHEMBL4143098 0.65 HTR2A (0.67) HTR2CHTR2ASLC6A4MAPTNCF1
SCHEMBL538687 0.65 HTR2C (0.51) HTR2CHTR2ASLC6A4PRKCQPRKCD
SCHEMBL14224305 0.64 ALDH1A1 (0.62) KDM4EL3MBTL1SLC40A1MAPT
SCHEMBL28710430 0.64 NCF1 (0.58) HTR2CHTR2ASLC6A4PRKCQPRKCD

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.