SCHEMBL16285443

SCHEMBL16285443

Cc1ccc(-c2nn(C)c(=O)[nH]2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE9A O76083 1/20 0.37
PDE10A Q9Y233 1/20 0.36
BACE1 P56817 1/20 0.36
PDE3B Q13370 5/20 0.35
PDE3A Q14432 5/20 0.35
PDE2A O00408 1/20 0.35
DHODH Q02127 3/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90B1 P14625 1/20 0.34
TRAP1 Q12931 1/20 0.34
DAO P14920 2/20 0.33
GRM2 Q14416 1/20 0.33

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
SCHEMBL16283736 0.81 ATM (0.40) ATMMEN1ALDH1A1THRBHPGD
SCHEMBL8341630 0.74 ATM (0.68) ATM
SCHEMBL16285449 0.73 BTK (0.41) MEN1ALDH1A1THRBHPGDKMT2A
SCHEMBL14100560 0.72 ATM (0.53) ATM
SCHEMBL8343433 0.71 ATM (0.47) ATMALDH1A1HPGD
SCHEMBL13520606 0.68 GRM2 (0.44) MEN1ALDH1A1THRBHPGDKMT2A
SCHEMBL15082480 0.66 NISCH (0.55) MEN1ALDH1A1KMT2A
SCHEMBL21723344 0.66 CRHR1 (0.36) BACE1GRM2
SCHEMBL3265647 0.65 ATM (0.65) ATM
SCHEMBL19998590 0.65 COMT (0.42) MEN1ALDH1A1KMT2APDE3BPDE3A

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-9193736-B2 PDE 10a inhibitors for the treatment of type II diabetes JANSSEN PHARMACEUTICA, NV (BE) 2015-11-24 US disclosed
US-20140364413-A1 PDE 10a Inhibitors for the Treatment of Type II Diabetes JANSSEN PHARMACEUTICA, NV (BE) 2014-12-11 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-20140364413-A1 PDE 10a Inhibitors for the Treatment of Type II Diabetes PDE2A, PDE3B, PDE3A ATM 1139/4885MEN1 3624/4885ALDH1A1 381/4885

“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.