SCHEMBL1864010

SCHEMBL1864010

COC(=O)c1cn(C)nc1C(F)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
NR4A2 P43354 2/20 0.35
BRD4 O60885 2/20 0.34
NPC1 O15118 1/20 0.34
PKM P14618 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ADCY10 Q96PN6 1/20 0.34
MAP3K5 Q99683 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CFTR P13569 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL1862734 0.86 KDM4E (0.43) GAAMAPTNPC1KDM4EALDH1A1
SCHEMBL596089 0.84 GAA (0.40) GAAMAPTNR4A2BRD4ADCY10
SCHEMBL1866000 0.83 GAA (0.36) GAALMNAPOLBPKM
SCHEMBL23142702 0.80 MAPT (0.40) GAAMAPTLMNAPOLBNR4A2
SCHEMBL3296730 0.78 MAPT (0.39) GAAMAPTNR4A2BRD4NPC1
SCHEMBL3294649 0.78 MAPT (0.39) GAAMAPTLMNANR4A2BRD4
SCHEMBL6887159 0.75 GAA (0.68) GAAMAPTLMNAPOLBNR4A2
SCHEMBL3402435 0.73 GAA (0.34) GAA
SCHEMBL30556712 0.73 GAA (0.38) GAAMAPTLMNAPOLBNR4A2
SCHEMBL6887971 0.72 GAA (0.49) GAAMAPTLMNAPOLBNR4A2

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-7939673-B2 Process for preparing 3-dihalomethyl-pyrazole-4-carboxylic acid derivatives BAYER CROPSCIENCE AG (DE) 2011-05-10 US disclosed
US-20090326242-A1 PROCESS FOR PREPARING 3-DIHALOMETHYL-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2009-12-31 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-20090326242-A1 PROCESS FOR PREPARING 3-DIHALOMETHYL-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES HRH4, SUV39H2, SUV39H1 GAA 962/4885MAPT 3796/4885LMNA 4007/4885

“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.