SCHEMBL5029055

SCHEMBL5029055

CCN1CCCC1CNc1nc(Nc2ccc(C)c(F)c2)nc(NC2CCCCCC2)n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.42
MAP3K8 P41279 2/20 0.41
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 3/20 0.38
CYP3A4 P08684 2/20 0.38
TSHR P16473 2/20 0.38
IL1B P01584 1/20 0.38
TP53 P04637 1/20 0.38
VNN1 O95497 1/20 0.38
HPGD P15428 2/20 0.38
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
POLB P06746 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
SCHEMBL4836014 0.93 MAP3K8 (0.43) RAB9AMAP3K8CTSSCTSKKDM4E
SCHEMBL5032201 0.91 GALR1 (0.44) RAB9AMAP3K8KDM4EALDH1A1HSD17B10
SCHEMBL5553489 0.90 VNN1 (0.41) RAB9AMAP3K8CTSSCTSKIL1B
SCHEMBL4839380 0.89 GALR1 (0.49) CTSSCTSKMAPT
SCHEMBL4832620 0.89 GALR1 (0.49) CTSSCTSKMAPT
SCHEMBL4829485 0.89 GALR1 (0.49) CTSSCTSKMAPT
SCHEMBL4829538 0.89 GALR1 (0.49) CTSSCTSKMAPT
SCHEMBL4829056 0.89 GALR1 (0.49) CTSSCTSKMAPT
SCHEMBL6239105 0.88 HTT (0.44) MAP3K8KDM4EALDH1A1HSD17B10CYP3A4
SCHEMBL4838676 0.88 GALR1 (0.41) RAB9AMAP3K8CTSSCTSKKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7335770-B2 Triazine compounds and their analogs, compositions, and methods REDDY U5 THERAPEUTICS, INC. (US) 2008-02-26 US claimed
WO-2005103015-A1 TRIAZINE COMPOUNDS AND THEIR ANALOGS, COMPOSITIONS, AND METHODS REDDY US THERAPEUTICS, INC. (US) 2005-11-03 WO claimed
US-20050227983-A1 Triazine compounds and their analogs, compositions, and methods DR. REDDY'S LABORATORIES LTD. (IN) 2005-10-13 US claimed
US-7335770-B2 Triazine compounds and their analogs, compositions, and methods REDDY U5 THERAPEUTICS, INC. (US) 2008-02-26 US disclosed
US-7335770-B2 Triazine compounds and their analogs, compositions, and methods REDDY U5 THERAPEUTICS, INC. (US) 2008-02-26 US disclosed
US-7335770-B2 Triazine compounds and their analogs, compositions, and methods REDDY U5 THERAPEUTICS, INC. (US) 2008-02-26 US disclosed
WO-2005103015-A1 TRIAZINE COMPOUNDS AND THEIR ANALOGS, COMPOSITIONS, AND METHODS REDDY US THERAPEUTICS, INC. (US) 2005-11-03 WO disclosed
US-20050227983-A1 Triazine compounds and their analogs, compositions, and methods DR. REDDY'S LABORATORIES LTD. (IN) 2005-10-13 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 (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-20050227983-A1 Triazine compounds and their analogs, compositions, and methods MYLK, SMAD3, GID4 RAB9A 3708/4885MAP3K8 661/4885CTSS 3208/4885

“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.