SCHEMBL2162902

SCHEMBL2162902

COc1ccc(-c2ccc3c(c2)nc2ccccn23)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.56
NPC1 O15118 4/20 0.56
USP7 Q93009 1/20 0.56
KDM4E B2RXH2 8/20 0.52
ALDH1A1 P00352 6/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
GLA P06280 3/20 0.51
GAA P10253 3/20 0.51
TUBB4A P04350 2/20 0.51
TUBB P07437 2/20 0.51
TUBA3C P0DPH7 2/20 0.51
TUBA1B P68363 2/20 0.51
TUBA4A P68366 2/20 0.51
TUBB4B P68371 2/20 0.51
TUBB3 Q13509 2/20 0.51
TUBB2A Q13885 2/20 0.51
TUBB8 Q3ZCM7 2/20 0.51
TUBA3E Q6PEY2 2/20 0.51
TUBA1A Q71U36 2/20 0.51
TUBA1C Q9BQE3 2/20 0.51

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
SCHEMBL2162897 0.81 ALDH1A1 (0.52) RAB9ANPC1USP7KDM4EALDH1A1
SCHEMBL2163037 0.79 USP7 (0.57) RAB9ANPC1USP7KDM4EALDH1A1
SCHEMBL2163959 0.79 RAB9A (0.57) RAB9ANPC1USP7KDM4EALDH1A1
SCHEMBL2164545 0.76 KDM4E (0.49) RAB9ANPC1USP7KDM4EALDH1A1
SCHEMBL24553486 0.74 ALDH1A1 (0.60) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL22627444 0.72 RAB9A (0.72) RAB9ANPC1USP7KDM4EALDH1A1
SCHEMBL8108255 0.72 KDM4E (0.65) RAB9ANPC1USP7KDM4EALDH1A1
SCHEMBL13411342 0.72 KDM4E (0.69) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL22615062 0.71 RAB9A (0.70) RAB9ANPC1USP7KDM4EALDH1A1
SCHEMBL8874767 0.71 RAB9A (1.00) RAB9ANPC1USP7KDM4EALDH1A1

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
EP-2550255-B1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS LILLY CO ELI (US) 2016-04-27 EP disclosed
US-20110182812-A1 Imaging Agents for Detecting Neurological Disorders SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-07-28 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-20110182812-A1 Imaging Agents for Detecting Neurological Disorders MAPT, APP, PSEN1 RAB9A 1434/4885NPC1 143/4885USP7 3258/4885

“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.