SCHEMBL12125845

SCHEMBL12125845

CCc1ccc2c(ccc3[nH]ncc32)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.47
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
MAPK10 P53779 1/20 0.43
RIPK1 Q13546 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2A6 P11509 1/20 0.42
TRPA1 O75762 1/20 0.41
IDO1 P14902 2/20 0.41
ELANE P08246 1/20 0.40
CDC7 O00311 1/20 0.40
KIF11 P52732 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL764032 0.81 CDC7 (0.55) ALDH1A1MAPTTRPA1IDO1CDC7
SCHEMBL14349688 0.78 IDO1 (0.42) HCAR2ALDH1A1MAPTMAPK10CYP1A2
SCHEMBL91332 0.78 MAPT (0.60) ALDH1A1MAPTCYP1A2IDO1CDC7
SCHEMBL12018677 0.75 MAPK10 (0.47) ALDH1A1MAPTMAPK10RIPK1TRPA1
SCHEMBL12123553 0.74 DHPS (0.43) HCAR2TRPA1KIF11PTK2BCDK2
SCHEMBL4548305 0.74 METAP2 (0.46) HCAR2ALDH1A1MAPTTRPA1IDO1
SCHEMBL8735889 0.72 ALDH1A1 (0.51) ALDH1A1MAPTMAPK10RIPK1CYP1A2
SCHEMBL12321248 0.72 NOS1 (0.56) ALDH1A1MAPTTRPA1IDO1MEN1
SCHEMBL3683853 0.71 METAP2 (0.46) MAPK10RIPK1TRPA1IDO1
SCHEMBL29450787 0.70 HPRT1 (0.54) HCAR2ALDH1A1MAPTCYP2A6TRPA1

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-20110281850-A1 INTRACELLULAR KINASE INHIBITORS MANNKIND CORPORATION (US) 2011-11-17 US disclosed
US-20070293499-A1 Intracellular Kinase Inhibitors MANNKIND CORPORATION (US) 2007-12-20 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 (2 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-20070293499-A1 Intracellular Kinase Inhibitors PI4KB, BTK, LTK HCAR2 3636/4885ALDH1A1 4370/4885MAPT 3284/4885
US-20110281850-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK HCAR2 3636/4885ALDH1A1 4370/4885MAPT 3284/4885

“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.