SCHEMBL12341435

SCHEMBL12341435

COC(c1ccc(NCc2ccc(C(F)(F)F)cc2)nc1)C1CNc2ncc(OCCN3CCOCC3)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RPS6KB1 P23443 3/20 0.42
▸ AURKA O14965 2/20 0.42
▸ PDPK1 O15530 1/20 0.42
▸ CSF1R P07333 2/20 0.39
▸ AURKB Q96GD4 2/20 0.39
▸ PPARG P37231 2/20 0.37
▸ PPARD Q03181 1/20 0.37
▸ PPARA Q07869 1/20 0.37
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ EPHX2 P34913 3/20 0.36
▸ KDR P35968 2/20 0.35
▸ FLT3 P36888 2/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ PTK2 Q05397 1/20 0.35
▸ PTGES O14684 1/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ PSEN1 P49768 1/20 0.35
▸ CACNA1B Q00975 2/20 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
SCHEMBL14236085 0.84 RPS6KB1 (0.45) RPS6KB1AURKAPDPK1CSF1RAURKB
SCHEMBL12342164 0.80 CSF1R (0.52) RPS6KB1AURKAPDPK1CSF1RAURKB
SCHEMBL12925721 0.77 CACNA1B (0.44) RPS6KB1AURKAPDPK1CSF1RCACNA1B
SCHEMBL12341431 0.75 CSF1R (0.49) RPS6KB1AURKAPDPK1CSF1RAURKB
SCHEMBL1267328 0.74 CSF1R (0.68) RPS6KB1AURKAPDPK1CSF1RAURKB
SCHEMBL12342108 0.73 CSF1R (0.54) RPS6KB1AURKAPDPK1CSF1RAURKB
SCHEMBL12342109 0.68 CSF1R (0.42) RPS6KB1AURKACSF1RCACNA1BKIT
SCHEMBL12342106 0.68 CSF1R (0.51) RPS6KB1AURKAPDPK1CSF1RAURKB
SCHEMBL1267604 0.66 CSF1R (0.71) RPS6KB1AURKAPDPK1CSF1RAURKB
SCHEMBL14147163 0.65 KDR (0.44) RPS6KB1AURKAPDPK1CSF1RAURKB

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-8268858-B2 e.g. 5-(3-methoxybenzyloxy)-1H-pyrrolo[2,3-b]pyridine; protein kinases inhibitor; central nervous system disorders; Alzheimer's disease; Parkinson's disease; anticancer, antitumor agents; analgesics; cogestive heart failure; skin disorders; inflammatory bowel disorders; transplant rejection PLEXXIKON INC. (US) 2012-09-18 — — US disclosed
US-20080188514-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-08-07 — — 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-20080188514-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 RPS6KB1 111/4885AURKA 283/4885PDPK1 47/4885

“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.

Send feedback