SCHEMBL3584943

SCHEMBL3584943

COCCN1CCN(c2ccc(-c3cn[nH]c3N)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
MAP4K1 Q92918 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
LCK P06239 1/20 0.45
HCK P08631 1/20 0.45
SRC P12931 1/20 0.45
KDR P35968 1/20 0.45
KDM4E B2RXH2 1/20 0.44
TLR9 Q9NR96 1/20 0.43
SYK P43405 2/20 0.43
LMNA P02545 2/20 0.42
TGFBR1 P36897 1/20 0.41
ACVR1 Q04771 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 2/20 0.41
MAP4K4 O95819 1/20 0.41
HSD17B10 Q99714 1/20 0.40
DRD2 P14416 1/20 0.40
AURKA O14965 1/20 0.40

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
SCHEMBL3577966 0.85 LMNA (0.46) MAPTMAP4K1TDP1KDM4ETLR9
SCHEMBL3588113 0.83 MAPT (0.51) MAPTTDP1LCKHCKSRC
SCHEMBL6151540 0.77 MAPT (0.62) MAPTTDP1KDM4ESYKLMNA
SCHEMBL1812286 0.77 MAPT (0.62) MAPTTDP1KDM4ESYKLMNA
SCHEMBL27775982 0.75 MAPT (0.46) MAPTTDP1LCKHCKSRC
SCHEMBL3594899 0.75 HRH3 (0.44) MAPTTDP1KDM4ELMNAACVR1
SCHEMBL29816483 0.74 HTR1A (0.56) MAPTDRD2
SCHEMBL22441718 0.74 PIK3CA (0.56) MAP4K1LCKHCKSRCKDR
SCHEMBL29964691 0.73 SUV39H2 (0.45) MAP4K1LCKHCKSRCKDR
SCHEMBL3591907 0.73 LCK (0.68) LCKHCKSRCKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029636-A1 Lck inhibitors NOVARTIS AG (CH) 2010-02-04 US disclosed
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 MAPT 2260/4885MAP4K1 147/4885TDP1 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.