SCHEMBL2554628

SCHEMBL2554628

O=C1c2c3ccccc3nn2CCN1CC1CCN(CCc2ccccc2F)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.41
DRD2 P14416 1/20 0.41
HRH1 P35367 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
GRM2 Q14416 2/20 0.38
HTR1A P08908 1/20 0.38
SLC6A4 P31645 1/20 0.38
SIGMAR1 Q99720 3/20 0.38
OPRM1 P35372 2/20 0.38
KCNH2 Q12809 2/20 0.38
CACNA1G O43497 1/20 0.37
CCR3 P51677 1/20 0.37
PDE6D O43924 1/20 0.36
HTR4 Q13639 1/20 0.36
ATM Q13315 1/20 0.35

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
SCHEMBL2556785 0.89 KMT2A (0.44) HTR2AGRM2CCR3
Hydrochloric Acid SCHEMBL14633797 0.88 KMT2A (0.44) HTR2AGRM2CCR3
SCHEMBL2555053 0.86 SSTR5 (0.42) HTR2ADRD2SIGMAR1
SCHEMBL2553797 0.86 CCR3 (0.47) HTR2AKCNH2CCR3HTR4
Hydrochloric Acid SCHEMBL14633467 0.85 KCNH2 (0.42) KCNH2
Hydrochloric Acid SCHEMBL14633841 0.85 CCR3 (0.46) HTR2ACCR3HTR4
SCHEMBL2557120 0.81 CCR3 (0.46) HTR2ACCR3HTR4
Hydrochloric Acid SCHEMBL2554746 0.81 KCNH2 (0.41) KCNH2
SCHEMBL2554766 0.77 DRD2 (0.45) DRD2GRM2KCNH2HTR4
Hydrochloric Acid SCHEMBL14633419 0.76 DRD2 (0.44) DRD2GRM2KCNH2HTR4

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-9655906-B2 Tricyclic indazole compound, method of preparation and pharmaceutical composition containing it AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2017-05-23 US disclosed
US-20150320763-A1 TRICYCLIC INDAZOLE COMPOUND, METHOD OF PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING IT AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F S.P.A. (IT) 2015-11-12 US disclosed
US-9120801-B2 Tricyclic indazole compound, method of preparation and pharmaceutical composition containing it AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2015-09-01 US disclosed
EP-2556074-B1 TRICYCLIC INDAZOLE COMPOUND, METHOD OF PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING IT ACRAF (IT) 2015-01-21 EP disclosed
EP-2556074-A1 TRICYCLIC INDAZOLE COMPOUND, METHOD OF PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING IT AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO - A.C.R.A.F. - S.p.A. (IT) 2013-02-13 EP disclosed
US-20130023524-A1 TRICYCLIC INDAZOLE COMPOUND, METHOD OF PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING IT AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R. (IT) 2013-01-24 US disclosed
WO-2011124430-A1 TRICYCLIC INDAZOLE COMPOUND, METHOD OF PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING IT AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2011-10-13 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 (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-20130023524-A1 TRICYCLIC INDAZOLE COMPOUND, METHOD OF PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING IT CYP3A43, CYP3A4, CYP3A5 HTR2A 1361/4885DRD2 1140/4885HRH1 450/4885
US-20150320763-A1 TRICYCLIC INDAZOLE COMPOUND, METHOD OF PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING IT CYP3A43, CYP3A4, CYP3A5 HTR2A 1361/4885DRD2 1140/4885HRH1 450/4885

“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.