SCHEMBL3595460

SCHEMBL3595460

Cn1nc2ccccc2c1C(=O)NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 3/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ SIGMAR1 Q99720 3/20 0.57
▸ TMEM97 Q5BJF2 2/20 0.57
▸ SLC6A12 P48065 2/20 0.57
▸ MCHR1 Q99705 1/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ CYP2D6 P10635 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ TSHR P16473 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ POLB P06746 1/20 0.57
▸ PRKAB2 O43741 1/20 0.57
▸ PRKAG1 P54619 1/20 0.57
▸ PRKAA2 P54646 1/20 0.57
▸ PRKAA1 Q13131 1/20 0.57
▸ PRKAG3 Q9UGI9 1/20 0.57

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 SCHEMBL3594714 0.82 DRD4 (0.51) DRD4MEN1KMT2ASIGMAR1TMEM97
SCHEMBL3598512 0.81 DRD4 (0.53) DRD4SIGMAR1TMEM97SLC6A12MCHR1
SCHEMBL3598634 0.81 NPC1 (0.49) DRD4SIGMAR1KCNH2L3MBTL1
SCHEMBL3605681 0.80 DRD4 (0.50) DRD4MEN1KMT2ASIGMAR1TMEM97
SCHEMBL61848 0.76 TMEM97 (0.83) DRD4MEN1KMT2ASIGMAR1TMEM97
SCHEMBL694949 0.76 SIGMAR1 (0.82) DRD4MEN1KMT2ASIGMAR1TMEM97
SCHEMBL3589692 0.76 HTR4 (0.62) KCNH2
SCHEMBL8274001 0.76 MEN1 (0.78) DRD4MEN1KMT2ASIGMAR1TMEM97
SCHEMBL6952310 0.75 HTR4 (0.55) DRD4MEN1KMT2ASIGMAR1POLB
SCHEMBL31736417 0.75 MCHR1 (0.77) DRD4MEN1KMT2ASIGMAR1TMEM97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507528-B2 2-alkyl-indazole compounds for the treatment of certain cns-related disorders AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2013-08-13 — — US disclosed
EP-2099780-B1 2 -ALKYL- INDAZOLE COMPOUNDS FOR THE TREATMENT OF CERTAIN CNS-RELATED DISORDERS ACRAF (IT) 2013-01-09 — — EP disclosed
US-20100056573-A1 2-ALKYL-INDAZOLE COMPOUNDS FOR THE TREATMENT OF CERTAIN CNS-RELATED DISORDERS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2010-03-04 — — US disclosed
EP-2099780-A1 2 -ALKYL- INDAZOLE COMPOUNDS FOR THE TREATMENT OF CERTAIN CNS-RELATED DISORDERS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.p.A. (IT) 2009-09-16 — — EP disclosed
WO-2008061688-A1 2 -ALKYL- INDAZOLE COMPOUNDS FOR THE TREATMENT OF CERTAIN CNS-RELATED DISORDERS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2008-05-29 — — 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 (1 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-20100056573-A1 2-ALKYL-INDAZOLE COMPOUNDS FOR THE TREATMENT OF CERTAIN CNS-RELATED DISORDERS CYP11B2, CYP1A2, INA DRD4 1593/4885MEN1 999/4885KMT2A 1204/4885

“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.

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