SCHEMBL17815908

SCHEMBL17815908

Cc1cn2ccnc2cc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
CYP1A2 P05177 2/20 0.36
METAP2 P50579 1/20 0.36
MCHR1 Q99705 1/20 0.35
OGA O60502 1/20 0.35
DYRK1A Q13627 2/20 0.35
KEAP1 Q14145 1/20 0.35
RORC P51449 2/20 0.34
DRD1 P21728 2/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
NFKB1 P19838 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NTRK1 P04629 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
SCHEMBL11985799 0.79 L3MBTL1 (0.44) L3MBTL1PDE3ACYP1A2DYRK1AKEAP1
SCHEMBL24978834 0.78 KEAP1 (0.36) L3MBTL1CYP1A2DYRK1AKEAP1RORC
SCHEMBL13676389 0.78 L3MBTL1 (0.41) L3MBTL1PDE3ACYP1A2DYRK1AKEAP1
SCHEMBL31212179 0.77 HTR2A (0.36) PDE3BPDE3ACYP1A2METAP2MCHR1
SCHEMBL27452784 0.74 L3MBTL1 (0.41) L3MBTL1PDE3ACYP1A2DYRK1AKEAP1
SCHEMBL20406365 0.74 L3MBTL1 (0.49) L3MBTL1PDE3ACYP1A2DYRK1AKEAP1
SCHEMBL20985971 0.74 DYRK1A (0.44) L3MBTL1PDE3ACYP1A2DYRK1AKEAP1
SCHEMBL20517143 0.74 L3MBTL1 (0.41) L3MBTL1PDE3ACYP1A2DYRK1AKEAP1
Hydrochloric Acid SCHEMBL31647268 0.73 L3MBTL1 (0.47) L3MBTL1PDE3ACYP1A2DYRK1AKEAP1
SCHEMBL22792985 0.72 DYRK1A (0.38) L3MBTL1PDE3ACYP1A2METAP2DYRK1A

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-20160159809-A1 HETEROCYCLIC COMPOUNDS AS BIOGENIC AMINE TRANSPORT MODULATORS SOUTHERN RESEARCH INSTITUTE 2016-06-09 US disclosed
WO-2016090296-A1 HETEROCYCLIC COMPOUNDS AS BIOGENIC AMINE TRANSPORT MODULATORS ANANTHAN SUBRAMANIAM (US) 2016-06-09 WO 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-20160159809-A1 HETEROCYCLIC COMPOUNDS AS BIOGENIC AMINE TRANSPORT MODULATORS SLC18A2, SLC6A2, SLC6A3 L3MBTL1 2745/4885PDE3B 774/4885PDE3A 658/4885

“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.