SCHEMBL1348978

SCHEMBL1348978

COC(OC)c1cnc(-c2cccc(C(N)=O)c2)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.50
MAP2K4 P45985 2/20 0.44
FYN P06241 4/20 0.42
TTK P33981 2/20 0.42
MAPK8 P45983 1/20 0.42
LDHB P07195 1/20 0.41
PARP1 P09874 3/20 0.40
VEGFA P15692 1/20 0.40
FLT1 P17948 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
POLQ O75417 1/20 0.40
CCNT1 O60563 1/20 0.40
CCND1 P24385 1/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
CDK7 P50613 1/20 0.40
CDK9 P50750 1/20 0.40
CCNH P51946 1/20 0.40
MNAT1 P51948 1/20 0.40
CDK6 Q00534 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
SCHEMBL2405991 0.79 DHODH (0.56) DHODHMAP2K4FYNTTKMAPK8
SCHEMBL1347707 0.76 DHODH (0.53) DHODHMAP2K4FYNTTKMAPK8
SCHEMBL2404191 0.74 TSHR (0.54) DHODHMAP2K4TTKMAPK8PARP1
SCHEMBL31176253 0.73 MAP2K4 (0.54) DHODHMAP2K4TTKMAPK8PARP1
SCHEMBL19105555 0.71 LDHB (0.50) MAP2K4FYNMAPK8LDHBPARP1
SCHEMBL38652244 0.70 AKT1 (0.51) DHODHPARP1
SCHEMBL15186244 0.70 MAP2K4 (0.56) DHODHMAP2K4FYNTTKMAPK8
SCHEMBL19145369 0.68 PARP1 (0.58) DHODHMAP2K4FYNMAPK8PARP1
SCHEMBL14651415 0.68 LDHB (0.46) MAP2K4FYNMAPK8LDHBPARP1
SCHEMBL3657605 0.68 FYN (0.57) FYNMAPK8PARP1VEGFAFLT1

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-8063247-B2 Bicyclic aryl and heteroaryl receptor modulators PROSIDION LIMITED (GB) 2011-11-22 US disclosed
US-20100267780-A1 BICYCLIC ARYL AND HETEROARYL RECEPTOR MODULATORS PROSIDION LIMITED (GB) 2010-10-21 US disclosed
EP-2197835-A1 BICYCLIC ARYL AND HETEROARYL RECEPTOR MODULATORS Prosidion Limited (GB) 2010-06-23 EP disclosed
WO-2009030962-A1 BICYCLIC ARYL AND HETEROARYL RECEPTOR MODULATORS PROSIDION LIMITED (GB) 2009-03-12 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-20100267780-A1 BICYCLIC ARYL AND HETEROARYL RECEPTOR MODULATORS OPRM1, OPRL1, OPRD1 DHODH 2467/4885MAP2K4 1617/4885FYN 2403/4885

“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.