SCHEMBL3207802

SCHEMBL3207802

CCCOc1ccc(-c2ncc(CCl)cn2)c(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.40
PTPN7 P35236 1/20 0.39
DUSP3 P51452 1/20 0.39
LIMK1 P53667 1/20 0.37
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ACACB O00763 2/20 0.35
MAPK8 P45983 1/20 0.35
MAPK10 P53779 1/20 0.35
ACACA Q13085 1/20 0.34
C3AR1 Q16581 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
PTGES O14684 1/20 0.34
ALOX5 P09917 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 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
SCHEMBL3198256 0.88 PDK2 (0.43) PDK2PTPN7DUSP3LIMK1THRA
SCHEMBL1436553 0.81 KMT2A (0.49) PDK2THRATHRBMAPK8MAPK10
SCHEMBL3219126 0.81 PDK2 (0.42) PDK2PTPN7DUSP3LIMK1THRA
SCHEMBL2059749 0.80 MAPT (0.43) PDK2PTPN7DUSP3LIMK1THRA
SCHEMBL1436411 0.77 AKR1C3 (0.44) PDK2PTGESALOX5PPARGPPARA
SCHEMBL4056711 0.76 PDK2 (0.39) PDK2PTPN7DUSP3LIMK1THRA
SCHEMBL2059744 0.75 PDK2 (0.37) PDK2PTPN7DUSP3LIMK1THRA
SCHEMBL2059746 0.75 CYP1A1 (0.40) PDK2PTPN7DUSP3LIMK1THRA
SCHEMBL3718958 0.75 ACACB (0.39) PDK2PTPN7DUSP3LIMK1THRA
SCHEMBL1437681 0.74 TAS1R3 (0.40) PDK2PTPN7DUSP3LIMK1THRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029655-A1 Processes For The Preparation Of Anti-Viral Compounds And Compositions Containing Them LEIVERS MARTIN ROBERT 2010-02-04 US disclosed
WO-2010006096-A1 PROCESSES FOR THE PREPARATION OF ANTI-VIRAL COMPOUNDS AND COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM CORPORATION (US) 2010-01-14 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-20100029655-A1 Processes For The Preparation Of Anti-Viral Compounds And Compositions Containing Them RPL35, HAVCR2, RPL5 PDK2 2333/4885PTPN7 2795/4885DUSP3 2320/4885

“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.