SCHEMBL807194

SCHEMBL807194

c1cc(-c2n[nH]c3c2CNCC3)ccn1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.70
HTR7 P34969 7/20 0.58
HTR1D P28221 3/20 0.55
HTR2A P28223 3/20 0.55
HTR2C P28335 3/20 0.55
HTR1E P28566 3/20 0.55
HTR2B P41595 3/20 0.55
HTR6 P50406 3/20 0.55
HTR1A P08908 1/20 0.55
PKN2 Q16513 1/20 0.48
LMNA P02545 1/20 0.45
MAPK10 P53779 1/20 0.45
MAPK1 P28482 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43

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 SCHEMBL790197 0.98 SOS1 (0.68) SOS1HTR7HTR1DHTR2AHTR2C
SCHEMBL10818201 0.85 HTR7 (0.79) SOS1HTR7HTR1DHTR2AHTR2C
Hydrochloric Acid SCHEMBL2258457 0.84 HTR7 (0.77) SOS1HTR7HTR1DHTR2AHTR2C
SCHEMBL5644368 0.83 HTR7 (0.80) SOS1HTR7HTR1DHTR2AHTR2C
SCHEMBL12340041 0.83 SOS1 (1.00) SOS1HTR7HTR1DHTR2AHTR2C
SCHEMBL18934294 0.83 HTR7 (0.80) SOS1HTR7HTR1DHTR2AHTR2C
Hydrochloric Acid SCHEMBL30785564 0.81 HTR7 (0.78) SOS1HTR7HTR1DHTR2AHTR2C
Hydrochloric Acid SCHEMBL3441395 0.81 SOS1 (0.97) SOS1HTR7HTR1DHTR2AHTR2C
SCHEMBL10818194 0.80 SOS1 (0.69) SOS1HTR7HTR1DHTR2AHTR2C
SCHEMBL10817002 0.79 SOS1 (0.68) SOS1HTR7HTR1DHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190031653-A1 Derivatives And Methods Of Treating Hepatitis B Infections NOVIRA THERAPEUTICS, INC. 2019-01-31 US disclosed
US-20170158691-A1 Derivatives And Methods Of Treating Hepatitis B Infections NOVIRA THERAPEUTICS, INC. 2017-06-08 US disclosed
US-20170158691-A1 Derivatives And Methods Of Treating Hepatitis B Infections NOVIRA THERAPEUTICS, INC. 2017-06-08 US disclosed
US-9550779-B2 Derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2017-01-24 US disclosed
US-9550779-B2 Derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2017-01-24 US disclosed
EP-2615916-B1 FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS MERCK SHARP & DOHME (US) 2017-01-04 EP disclosed
US-20160185779-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2016-06-30 US disclosed
US-20160185779-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2016-06-30 US disclosed
US-9242981-B2 Fused pyrazole derivatives as novel ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-26 US disclosed
US-20130172341-A1 FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS MERCK SHARP & DOHME LLC 2013-07-04 US disclosed
WO-2012036997-A1 FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS SCHERING CORPORATION (US) 2012-03-22 WO disclosed
US-5428169-A Antidepressants, treating compulsive disorders, stuttering, trichotillomania HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1995-06-27 US disclosed
US-5380847-A Reaction of 1-methylpiperidine-4-hydrazine, ketone and titanium isopropoxide to form hydrazone HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1995-01-10 US disclosed
EP-0594001-A1 Pyrazolo 4,3-c pyridines, a process for their preparation and their use as serotonin reuptake inhibitors HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1994-04-27 EP disclosed
US-5296491-A Pyrazolo[4,3-c]pyridines and their use as serotonin reuptake inhibitors HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1994-03-22 US disclosed
US-5264576-A Antiserotonin agents, antidepressants and obsessive-compulsive disorders HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-11-23 US disclosed
EP-0086422-B1 PHARMACOLOGICALLY ACTIVE PYRAZOLO(4,3-C)PYRIDINES GRUPPO LEPETIT S.p.A. (IT) 1987-09-30 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 (4 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-20190031653-A1 Derivatives And Methods Of Treating Hepatitis B Infections HAVCR2, PYGL, HCCS SOS1 2795/4885HTR7 4347/4885HTR1D 4808/4885
US-20130172341-A1 FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS MAPK1, MAPK3, MAP3K1 SOS1 1250/4885HTR7 3609/4885HTR1D 3822/4885
US-20170158691-A1 Derivatives And Methods Of Treating Hepatitis B Infections HAVCR2, PYGL, HCCS SOS1 2795/4885HTR7 4347/4885HTR1D 4808/4885
US-20160185779-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, PYGL, HCCS SOS1 2795/4885HTR7 4347/4885HTR1D 4808/4885

“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.