SCHEMBL19919277

SCHEMBL19919277

N#CC1C(C#N)C12c1ccccc1-c1ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.40
PDK2 Q15119 5/20 0.35
THRB P10828 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
APEX1 P27695 1/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 3/20 0.34
MEN1 O00255 2/20 0.34
LMNA P02545 2/20 0.34
HSP90AA1 P07900 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
S100A4 P26447 1/20 0.33
KDM4E B2RXH2 1/20 0.33
OPRK1 P41145 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GPR35 Q9HC97 1/20 0.33
ITGA4 P13612 2/20 0.31
ALDH1A1 P00352 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
SCHEMBL31426363 0.69 PDK2 (0.39) PIM1PDK2THRBTDP1APEX1
SCHEMBL161663 0.69 PDK2 (0.39) PIM1PDK2THRBTDP1APEX1
SCHEMBL9549458 0.68 KMT2A (0.44) PIM1PDK2THRBTDP1KMT2A
SCHEMBL212466 0.65 KMT2A (0.43) PDK2THRBTDP1KMT2AMAPT
SCHEMBL24576598 0.65 PDK2 (0.37) PIM1PDK2THRBTDP1KMT2A
SCHEMBL15611287 0.64 APEX1 (0.42) PDK2THRBTDP1APEX1KMT2A
SCHEMBL1394180 0.64 KMT2A (0.40) PDK2KMT2A
SCHEMBL29355276 0.63 KMT2A (0.56) PDK2THRBTDP1APEX1KMT2A
SCHEMBL44942 0.63 KMT2A (0.56) PDK2THRBTDP1APEX1KMT2A
SCHEMBL1395101 0.62 PDK2 (0.41) PDK2KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180057428-A1 Enhancing thermal stability of bulk heterojunction solar cells with fluorenone derivatives HONG KONG BAPTIST UNIVERSITY (HK) 2018-03-01 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-20180057428-A1 Enhancing thermal stability of bulk heterojunction solar cells with fluorenone derivatives AXIN2, TRPA1, TCF4 PIM1 4758/4885PDK2 619/4885THRB 4253/4885

“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.