SCHEMBL6472291

SCHEMBL6472291

Cc1ccnc(NC2(C(N)=O)CCCCC2)n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
FASN P49327 1/20 0.38
SORT1 Q99523 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
P2RX7 Q99572 1/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL25418572 0.81 P2RX7 (0.44) KDM4ENPSR1P2RX7GAA
SCHEMBL6472503 0.77 HDAC3 (0.44) RAB9AMAPTP2RX7
SCHEMBL6472289 0.76 L3MBTL1 (0.44) KMT2AL3MBTL1KDM4ENPC1RAB9A
SCHEMBL25418744 0.76 P2RX7 (0.42) KDM4EP2RX7GAA
SCHEMBL15881328 0.70 L3MBTL1 (0.55) KMT2AL3MBTL1KDM4ENPC1RAB9A
SCHEMBL20340463 0.69 SCN10A (0.40) SORT1P2RX7
SCHEMBL14298343 0.69 L3MBTL1 (0.54) KMT2AL3MBTL1KDM4ENPC1RAB9A
SCHEMBL5533343 0.69 HDAC3 (0.36)
SCHEMBL29155747 0.67 KMT2A (0.46) KMT2AL3MBTL1KDM4ENPC1RAB9A
SCHEMBL2542108 0.66 CYP1A2 (0.50) KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 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 (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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 KMT2A 693/4885L3MBTL1 3949/4885KDM4E 1190/4885

“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.