SCHEMBL3423120

SCHEMBL3423120

O=C(O)c1nc2cc(F)c(F)cc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 0.56
HRH4 Q9H3N8 2/20 0.52
HRH3 Q9Y5N1 2/20 0.52
EGLN1 Q9GZT9 6/20 0.51
RHEB Q15382 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HDAC11 Q96DB2 1/20 0.41
CBFB Q13951 1/20 0.41
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
LMNA P02545 1/20 0.39
GRIK1 P39086 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
SCHEMBL3871577 0.86 EGLN1 (0.55) PIN1HRH4HRH3EGLN1RHEB
SCHEMBL3423810 0.86 RHEB (0.52) PIN1HRH4HRH3EGLN1RHEB
SCHEMBL17092653 0.86 EGLN1 (0.55) PIN1HRH4HRH3EGLN1RHEB
SCHEMBL5510194 0.80 HRH4 (0.51) PIN1HRH4HRH3EGLN1RHEB
SCHEMBL2243699 0.79 PIN1 (0.53) PIN1HRH4HRH3EGLN1RHEB
SCHEMBL2243706 0.79 PIN1 (0.66) PIN1HRH4HRH3EGLN1KDM4E
SCHEMBL4309662 0.78 EGLN1 (0.63) PIN1EGLN1RHEBGRIN2DGRIN3B
SCHEMBL11217318 0.78 PIN1 (0.65) PIN1EGLN1RHEBKDM4EHSD17B10
SCHEMBL11353502 0.77 GRIN2D (0.67) EGLN1KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL20494985 0.76 PIN1 (0.50) PIN1HRH4EGLN1RHEBKDM4E

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504426-B2 Heterocyclic compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-17 US claimed
EP-1545532-A2 HETEROCYCLIC COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2005-06-29 EP claimed
US-20040058934-A1 Heterocyclic compounds JANSSEN PHARMACEUTIC, N.V. (BE) 2004-03-25 US claimed
WO-2004022060-A2 (1H-BENZOIMIDAZOL-2-YL)-(PIPERAZINYL)-METHANONE DERIVATIVES AND RELATED COMPOUNDS AS HISTAMINE H4-RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 2004-03-18 WO claimed
US-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2023-09-21 US disclosed
US-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2023-09-21 US disclosed
EP-4161916-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME Arbutus Biopharma Corporation (CA) 2023-04-12 EP disclosed
US-10195195-B2 Selective histamine H4 receptor antagonists for the treatment of vestibular disorders INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2019-02-05 US disclosed
EP-3378476-A1 H4 RECEPTOR INHIBITORS FOR TREATING TINNITUS Sensorion (FR) 2018-09-26 EP disclosed
US-9688989-B2 H4 receptor inhibitors for treating tinnitus SENSORION (FR) 2017-06-27 US disclosed
US-20170056397-A1 SELECTIVE HISTAMINE H4 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF VESTIBULAR DISORDERS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2017-03-02 US disclosed
EP-3130376-A1 SELECTIVE HISTAMINE H4 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF VESTIBULAR DISORDERS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2017-02-15 EP disclosed
WO-2010072829-A1 SELECTIVE HISTAMINE H4 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF VESTIBULAR DISORDERS. INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2010-07-01 WO disclosed
EP-2201982-A1 Histamine H4 receptor antagonists for the treatment of vestibular disorders INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2010-06-30 EP disclosed
US-7504426-B2 Heterocyclic compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-17 US disclosed
US-20090069343-A1 Combination Histamine H1R and H4R Antagonist Therapy for Treating Pruritus DUNFORD PAUL J 2009-03-12 US disclosed
US-20060111416-A1 Octahydropyrrolo[3,4-C]pyrrole derivatives PFIZER INC. 2006-05-25 US disclosed
EP-1545532-A2 HETEROCYCLIC COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2005-06-29 EP disclosed
US-20040058934-A1 Heterocyclic compounds JANSSEN PHARMACEUTIC, N.V. (BE) 2004-03-25 US disclosed
WO-2004022060-A2 (1H-BENZOIMIDAZOL-2-YL)-(PIPERAZINYL)-METHANONE DERIVATIVES AND RELATED COMPOUNDS AS HISTAMINE H4-RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 2004-03-18 WO 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-20060111416-A1 Octahydropyrrolo[3,4-C]pyrrole derivatives DPYD, PAH, DHPS PIN1 273/4885HRH4 1986/4885HRH3 3821/4885
US-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME HCCS, HAVCR2, HDGF PIN1 715/4885HRH4 1673/4885HRH3 987/4885
US-20040058934-A1 Heterocyclic compounds HRH4, HRH2, HRH1 PIN1 3002/4885HRH4 1/4885HRH3 4/4885
US-20090069343-A1 Combination Histamine H1R and H4R Antagonist Therapy for Treating Pruritus HRH4, HRH2, HRH3 PIN1 831/4885HRH4 1/4885HRH3 3/4885

“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.