SCHEMBL2099668

SCHEMBL2099668

CON(C)C(=O)c1ccc(F)c(N)c1-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.37
MTOR P42345 2/20 0.37
TRPM8 Q7Z2W7 2/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ACLY P53396 3/20 0.34
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 1/20 0.33
MLYCD O95822 1/20 0.33
HPGD P15428 2/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
DHODH Q02127 1/20 0.32
MAP2 P11137 1/20 0.32

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
SCHEMBL28166374 0.78 AKR1C2 (0.45) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL14916617 0.77 CES2 (0.42) PIK3CAMTORTRPM8ALDH1A1HSD17B10
SCHEMBL27879744 0.76 BCAT2 (0.46) KDM4EMEN1KMT2ADHODHMAP2
SCHEMBL27724470 0.74 GAA (0.51) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL29898808 0.73 KMT2A (0.54) ALDH1A1HSD17B10MEN1KMT2ASMN1; SMN2
SCHEMBL257659 0.73 KMT2A (0.54) ALDH1A1HSD17B10MEN1KMT2ASMN1; SMN2
SCHEMBL14916540 0.71 ALDH1A1 (0.39) PIK3CAMTORTRPM8ALDH1A1KDM4E
SCHEMBL2645212 0.71 PIK3CA (0.45) PIK3CAMTORTRPM8ALDH1A1KDM4E
SCHEMBL17064803 0.71 PIK3CA (0.38) PIK3CAMTORTRPM8MEN1KMT2A
SCHEMBL8298111 0.70 MLYCD (0.43) PIK3CAMTORTRPM8ALDH1A1MEN1

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-8163906-B2 Dihydroquinone and dihydronaphthridine inhibitors of JNK ROCHE PALO ALTO, LLC (US) 2012-04-24 US disclosed
US-20080287458-A1 Dihydroquinone and dihydronaphthridine inhibitors of JNK ROCHE PALO ALTO LLC 2008-11-20 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-20080287458-A1 Dihydroquinone and dihydronaphthridine inhibitors of JNK MAPK9, MAPK10, MAPK1 PIK3CA 2567/4885MTOR 541/4885TRPM8 1959/4885

“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.