SCHEMBL12064

SCHEMBL12064

Cc1ccc(CN2CCCCC2)nc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.55
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
RCE1 Q9Y256 1/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KCNH2 Q12809 2/20 0.41
LTA4H P09960 1/20 0.41
MAPT P10636 1/20 0.41
SCN5A Q14524 1/20 0.41
SCN9A Q15858 1/20 0.41

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
SCHEMBL12894384 0.98 HRH3 (0.53) HRH3CYP1A2CYP2D6KDM4EALDH1A1
SCHEMBL16132004 0.95 HRH3 (0.49) HRH3CYP1A2CYP2D6KDM4EALDH1A1
SCHEMBL17409830 0.84 HRH3 (0.55) HRH3CYP1A2KDM4EALDH1A1NPC1
SCHEMBL7617880 0.84 ALDH1A1 (0.56) HRH3KDM4EALDH1A1NPC1RAB9A
SCHEMBL12513 0.84 LTA4H (0.45) HRH3KDM4EALDH1A1SMN1; SMN2KCNH2
SCHEMBL15198045 0.83 CYP1A2 (0.68) HRH3CYP1A2CYP2D6SMN1; SMN2
SCHEMBL20160684 0.83 CXCR4 (0.49) HRH3CYP2D6ALDH1A1KCNH2SCN5A
SCHEMBL12310670 0.83 HRH3 (0.53) HRH3CYP1A2ALDH1A1NPC1RAB9A
SCHEMBL20071132 0.83 KCNH2 (0.39) HRH3KDM4EALDH1A1KCNH2SCN5A
SCHEMBL12426 0.81 KCNH2 (0.46) HRH3KCNH2SCN5ASCN9A

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
EP-2499146-B1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2016-09-21 EP disclosed
US-9073940-B2 Tricyclic pyrazol amine derivatives MERCK SERONO SA (CH) 2015-07-07 US disclosed
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2012-09-20 US disclosed
WO-2011058149-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO S.A. (CH) 2011-05-19 WO disclosed
US-7384952-B2 Pyrazolopyrimidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-06-10 US disclosed
US-7384952-B2 Pyrazolopyrimidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-06-10 US disclosed
EP-1857459-A2 Pyrazolopyrimidine compound and a process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 2007-11-21 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 (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-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES PI4KB, MTOR, PI4KA HRH3 571/4885CYP1A2 1663/4885CYP2D6 3472/4885

“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.