SCHEMBL12342106

SCHEMBL12342106

OC(c1ccc(NCc2ccc(C(F)(F)F)cc2)nc1)c1c[nH]c2ncc(OCCN3CCCC3)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSF1R P07333 3/20 0.51
▸ RPS6KB1 P23443 6/20 0.47
▸ CACNA1B Q00975 4/20 0.44
▸ CACNA1H O95180 1/20 0.44
▸ KIT P10721 2/20 0.43
▸ AURKA O14965 5/20 0.42
▸ PDPK1 O15530 1/20 0.40
▸ LTA4H P09960 4/20 0.39
▸ KCNH2 Q12809 2/20 0.37
▸ MCHR1 Q99705 1/20 0.37
▸ AURKB Q96GD4 4/20 0.37
▸ CYP2C19 P33261 1/20 0.36
▸ LCK P06239 1/20 0.36
▸ PGR P06401 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ PDGFRB P09619 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ CHRM1 P11229 1/20 0.36

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
SCHEMBL12341431 0.93 CSF1R (0.49) CSF1RRPS6KB1CACNA1BCACNA1HKIT
SCHEMBL12338611 0.90 CSF1R (0.40) CSF1RRPS6KB1KITLTA4HCYP2C19
SCHEMBL12342108 0.90 CSF1R (0.54) CSF1RRPS6KB1CACNA1BCACNA1HKIT
SCHEMBL1267604 0.85 CSF1R (0.71) CSF1RRPS6KB1CACNA1BCACNA1HKIT
SCHEMBL12341853 0.84 CSF1R (0.54) CSF1RRPS6KB1CACNA1BKITAURKA
SCHEMBL12341433 0.83 CSF1R (0.53) CSF1RRPS6KB1CACNA1BKITAURKA
SCHEMBL14147163 0.83 KDR (0.44) CSF1RRPS6KB1AURKAPDPK1AURKB
SCHEMBL12342164 0.83 CSF1R (0.52) CSF1RRPS6KB1CACNA1BCACNA1HKIT
SCHEMBL12338612 0.80 CSF1R (0.41) CSF1RRPS6KB1CACNA1BKITLTA4H
SCHEMBL1267328 0.79 CSF1R (0.68) CSF1RRPS6KB1CACNA1BCACNA1HKIT

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 3 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
WO-2008079909-A1 PYRROLO [2,3-B] PYRIDINES AS KINASE MODULATORS PLEXXIKON, INC. (US) 2008-07-03 — — 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-20080188514-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CSF1R 2023/4885RPS6KB1 111/4885CACNA1B 3325/4885

“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.

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