SCHEMBL2805197

SCHEMBL2805197

O=C(NCC(F)(F)F)c1cc(-c2cnn3cc(-c4ccc(OCCN5CCCCC5)cc4)cnc23)cs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MARK3 P27448 11/20 1.00
LCK P06239 3/20 1.00
SRC P12931 3/20 1.00
ACVR1B P36896 3/20 1.00
SGK1 O00141 2/20 1.00
PIK3CD O00329 2/20 1.00
CHEK1 O14757 2/20 1.00
MAPK13 O15264 2/20 1.00
PDPK1 O15530 2/20 1.00
NUAK1 O60285 2/20 1.00
CCNT1 O60563 2/20 1.00
JAK2 O60674 2/20 1.00
ROCK2 O75116 2/20 1.00
CHEK2 O96017 2/20 1.00
EGFR P00533 2/20 1.00
RAF1 P04049 2/20 1.00
NTRK1 P04629 2/20 1.00
CSF1R P07333 2/20 1.00
MET P08581 2/20 1.00
HCK P08631 2/20 1.00

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
SCHEMBL13126141 0.93 MARK3 (0.88) MARK3LCKSRCACVR1BSGK1
SCHEMBL13126138 0.93 MARK3 (0.86) MARK3LCKSRCACVR1BSGK1
SCHEMBL13126175 0.92 MARK3 (0.85) MARK3LCKSRCACVR1BSGK1
SCHEMBL13126166 0.91 MARK3 (0.83) MARK3LCKSRCACVR1BSGK1
SCHEMBL13126158 0.91 MARK3 (0.83) MARK3LCKSRCACVR1BSGK1
SCHEMBL13126074 0.90 LCK (0.81) MARK3LCKSRCACVR1BSGK1
SCHEMBL13126162 0.90 MARK3 (0.82) MARK3LCKSRCACVR1BSGK1
SCHEMBL13126161 0.90 MARK3 (0.82) MARK3LCKSRCACVR1BSGK1
SCHEMBL13126170 0.89 MARK3 (0.81) MARK3LCKSRCACVR1BSGK1
SCHEMBL13126070 0.89 MARK3 (0.80) MARK3LCKSRCACVR1BSGK1

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-20100240647-A1 Treatment of Alzheimer's Disease and Related Conditions MERCK & CO., INC. 2010-09-23 US disclosed
EP-1981509-B1 Pyrazolo[1,5-a]pyrimidine derivatives for use in treatment of Alzheimer's disease and related conditions MERCK SHARP & DOHME (GB) 2010-03-17 EP disclosed
EP-1981509-A1 TREATMENT OF ALZHEIMER'S DISEASE AND RELATED CONDITIONS Merck Sharp & Dohme Limited (GB) 2008-10-22 EP disclosed
WO-2007085873-A1 TREATMENT OF ALZHEIMER'S DISEASE AND RELATED CONDITIONS MERCK SHARP & DOHME LIMITED (GB) 2007-08-02 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-20100240647-A1 Treatment of Alzheimer's Disease and Related Conditions MAPT, MAP2, TTBK1 MARK3 12/4885LCK 654/4885SRC 621/4885

“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.