SCHEMBL4870253

SCHEMBL4870253

CN(C)c1ccc(-c2cn(CCCCN)cn2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 6/20 0.47
AURKB Q96GD4 4/20 0.47
KCNH2 Q12809 2/20 0.47
ICMT O60725 1/20 0.41
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CYP2E1 P05181 2/20 0.38
CYP2A6 P11509 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2B6 P20813 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 1/20 0.38
GRM2 Q14416 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35
MAP3K11 Q16584 1/20 0.34
KDM5A P29375 1/20 0.34
KDM5B Q9UGL1 1/20 0.34

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
SCHEMBL4867407 0.83 CYP3A4 (0.38) SYKAURKBKCNH2GAACYP2E1
SCHEMBL4865861 0.83 CYP2C9 (0.43) SYKGAARAB9ACYP2E1CYP2A6
SCHEMBL27853095 0.82 SYK (0.39) SYKAURKBKCNH2ICMTNPC1
SCHEMBL5346379 0.81 CPB2 (0.40) SYKCYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL14625961 0.81 CYP3A4 (0.36) SYKAURKBKCNH2GAACYP2E1
SCHEMBL4869118 0.80 CYP2E1 (0.38) SYKCYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL4869517 0.80 PIK3CD (0.38) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL14268984 0.80 CYP2E1 (0.38) CYP2E1CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL4868781 0.80 CYP11B1 (0.43) SYKKCNH2CYP2E1CYP2A6CYP2C9
SCHEMBL4870353 0.79 SYK (0.43) SYKRAB9ACYP2E1CYP2A6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7163924-B2 Ketolide derivatives CHIRON CORPORATION (US) 2007-01-16 US claimed
US-20050153905-A1 Novel ketolide derivatives CHIRON CORPORATION (US) 2005-07-14 US claimed
US-7332476-B2 Pyridyl substituted ketolide antibiotics NOVARTIS AG (CH) 2008-02-19 US disclosed
US-7332476-B2 Pyridyl substituted ketolide antibiotics NOVARTIS AG (CH) 2008-02-19 US disclosed
US-7332476-B2 Pyridyl substituted ketolide antibiotics NOVARTIS AG (CH) 2008-02-19 US disclosed
US-7163924-B2 Ketolide derivatives CHIRON CORPORATION (US) 2007-01-16 US disclosed
US-7163924-B2 Ketolide derivatives CHIRON CORPORATION (US) 2007-01-16 US disclosed
US-7163924-B2 Ketolide derivatives CHIRON CORPORATION (US) 2007-01-16 US disclosed
US-20050153905-A1 Novel ketolide derivatives CHIRON CORPORATION (US) 2005-07-14 US disclosed
US-20050009764-A1 Pyridyl substituted ketolide antibiotics CHIRON CORPORATION (US) 2005-01-13 US 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 (2 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-20050009764-A1 Pyridyl substituted ketolide antibiotics PKLR, KHK, PGD SYK 2030/4885AURKB 1875/4885KCNH2 251/4885
US-20050153905-A1 Novel ketolide derivatives KHK, CYP51A1, SI SYK 3475/4885AURKB 3095/4885KCNH2 428/4885

“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.