SCHEMBL20100077

SCHEMBL20100077

CC(C)c1nc2cc(C(F)(F)F)cnc2s1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.34
MAPK1 P28482 1/20 0.34
KCNN4 O15554 3/20 0.33
KDM4E B2RXH2 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
RAB9A P51151 2/20 0.33
AGBL2 Q5U5Z8 1/20 0.32
MEN1 O00255 1/20 0.32
MET P08581 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
DYRK1A Q13627 1/20 0.31
EPHX2 P34913 1/20 0.30
SCN4A P35499 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL18136191 0.79 POLB (0.38) POLBPKMSMN1; SMN2KDM4EKMT2A
SCHEMBL12318122 0.77 CYP1A2 (0.35) CYP1A2
SCHEMBL12269117 0.77 HRH4 (0.35) SMN1; SMN2RAB9ASCN4A
SCHEMBL20685684 0.76 GRM5 (0.34) KMT2AMEN1
SCHEMBL20312890 0.75 POLB (0.32) POLBPKMSMN1; SMN2MAPK1KDM4E
SCHEMBL8225275 0.73 DYRK1A (0.52) POLBSMN1; SMN2KCNN4KDM4EKMT2A
SCHEMBL21104584 0.72 TRPV1 (0.41) POLBPKMKDM4EKMT2AALDH1A1
SCHEMBL30719644 0.72 ALDH1A1 (0.34) POLBPKMSMN1; SMN2KDM4EKMT2A
SCHEMBL15689559 0.72 ALDH1A1 (0.34) POLBPKMSMN1; SMN2KDM4EKMT2A
SCHEMBL16711659 0.72 CACNA1H (0.35) POLBPKMSMN1; SMN2MAPK1KDM4E

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-20190031624-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION UNIV RUTGERS (US) 2019-01-31 US disclosed
US-10188108-B2 Fused bicyclic heterocycle derivatives as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-01-29 US disclosed
US-20180116222-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-05-03 US disclosed
US-20180116222-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-05-03 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 (3 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-20190031624-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION ABCB11, SLC10A1, SLC47A1 POLB 4022/4885PKM 3524/4885SMN1; SMN2 4260/4885
US-10188108-B2 Fused bicyclic heterocycle derivatives as pesticides DDT, CBR3, CYCS POLB 4285/4885PKM 1990/4885SMN1; SMN2 3343/4885
US-20180116222-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, CBR3, CYCS POLB 4285/4885PKM 1990/4885SMN1; SMN2 3343/4885

“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.