SCHEMBL3590202

SCHEMBL3590202

CN1CCN(c2cc(CC#N)cc(N3CCN(C)CC3)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.43
HTR2A P28223 1/20 0.41
HTR6 P50406 1/20 0.41
NCF1 P14598 1/20 0.41
ADRA2C P18825 2/20 0.40
CHKA P35790 1/20 0.39
KDM4E B2RXH2 4/20 0.39
GAA P10253 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
PTK2B Q14289 2/20 0.39
KMT2A Q03164 2/20 0.39
GFER P55789 1/20 0.39
ESR2 Q92731 1/20 0.39
HTR3A P46098 1/20 0.39
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38
HRH4 Q9H3N8 2/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL4181983 0.83 AGXT (0.60) AGXTHTR2AHTR6ADRA2CHTR3A
SCHEMBL3585755 0.82 NCF1 (0.55) HTR2AHTR6NCF1ADRA2CCHKA
SCHEMBL14922318 0.72 CHKA (0.59) AGXTNCF1ADRA2CCHKAKDM4E
SCHEMBL3589309 0.69 L3MBTL3 (0.47) NCF1ALDH1A1MAPTKMT2A
SCHEMBL4697729 0.69 HTR6 (0.49) HTR2AHTR6KDM4EGAAALDH1A1
SCHEMBL6223934 0.69 HTR3A (0.44) HTR2AKMT2AHTR3AHRH4
SCHEMBL2013498 0.69 ADRA2C (0.68) ADRA2CKDM4EGAAALDH1A1MAPT
SCHEMBL21574870 0.69 GAA (0.52) AGXTADRA2CKDM4EGAAALDH1A1
SCHEMBL3594477 0.68 LMNA (0.61) NCF1CHKAKDM4EALDH1A1
SCHEMBL13453374 0.67 NOS3 (0.42) AGXTNCF1ADRA2CCHKAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029636-A1 Lck inhibitors NOVARTIS AG (CH) 2010-02-04 US disclosed
EP-2074127-A1 PYRAZOLO [1, 5-A]PYRIMIDINE DERIVATIVES AND THEIR THERAPEUTIC USE Novartis AG (CH) 2009-07-01 EP disclosed
WO-2008037459-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AND THEIR THERAPEUTIC USE NOVARTIS AG (CH) 2008-04-03 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-20100029636-A1 Lck inhibitors LCK, ZAP70, FYN AGXT 4353/4885HTR2A 4538/4885HTR6 4108/4885

“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.