SCHEMBL3577966

SCHEMBL3577966

Nc1[nH]ncc1-c1ccc(N2CCN(CCO)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
MAPT P10636 4/20 0.45
TDP1 Q9NUW8 1/20 0.45
ROCK2 O75116 2/20 0.44
ROCK1 Q13464 2/20 0.44
MAP4K1 Q92918 1/20 0.44
TLR9 Q9NR96 1/20 0.41
FYN P06241 1/20 0.40
TERT O14746 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
TSHR P16473 1/20 0.38
SYK P43405 1/20 0.38
GAA P10253 1/20 0.38
RAD52 P43351 1/20 0.38
GFER P55789 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL4167689 0.86 LMNA (0.48) LMNAROCK2ROCK1MAP4K1KDM4E
SCHEMBL3584943 0.85 MAPT (0.50) LMNAMAPTTDP1MAP4K1TLR9
SCHEMBL3588113 0.85 MAPT (0.51) LMNAMAPTTDP1FYNKDM4E
SCHEMBL27775982 0.79 MAPT (0.46) LMNAMAPTTDP1ROCK2FYN
SCHEMBL3594899 0.76 HRH3 (0.44) LMNAMAPTTDP1FYNKDM4E
SCHEMBL188852 0.76 MAPT (0.62) LMNAMAPTTDP1KDM4EGAA
SCHEMBL6150880 0.76 MAPT (0.62) LMNAMAPTTDP1KDM4EGAA
SCHEMBL6151437 0.76 MAPT (0.62) LMNAMAPTTDP1KDM4EGAA
SCHEMBL20332608 0.73 ROCK2 (0.46) MAPTROCK2ROCK1TLR9KDM4E
SCHEMBL3588930 0.71 LMNA (0.56) LMNAMAPTTDP1

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 LMNA 4677/4885MAPT 2260/4885TDP1 451/4885

“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.