SCHEMBL5541233

SCHEMBL5541233

CCOC(=O)c1ncc(Cc2ccc(F)cc2)cc1NCCN1CCCCS1(O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
P2RY12 Q9H244 2/20 0.37
PDE4B Q07343 1/20 0.34
KMT2A Q03164 4/20 0.34
ATM Q13315 1/20 0.33
MEN1 O00255 3/20 0.33
ALDH1A1 P00352 3/20 0.33
TSHR P16473 2/20 0.33
LMNA P02545 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33
EHMT2 Q96KQ7 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 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
SCHEMBL5540813 0.97 PDE3B (0.38) PDE3BPDE3AP2RY12PDE4BKMT2A
SCHEMBL5541235 0.92 GRM2 (0.37) PDE3BPDE3AP2RY12PDE4BKMT2A
SCHEMBL5540808 0.89 PDE3B (0.38) PDE3BPDE3AP2RY12PDE4BKMT2A
SCHEMBL6061012 0.86 PDE3B (0.38) PDE3BPDE3AP2RY12PDE4BKMT2A
SCHEMBL4718288 0.81 PDE3B (0.44) PDE3BPDE3AKMT2AMEN1ALDH1A1
SCHEMBL5541256 0.81 PDE3B (0.34) PDE3BPDE3AP2RY12KMT2AATM
SCHEMBL5545808 0.80 ALDH1A1 (0.43) PDE3BPDE3AKMT2AATMMEN1
SCHEMBL5540809 0.79 ALDH1A1 (0.43) PDE3BPDE3AKMT2AATMMEN1
SCHEMBL5540936 0.79 KCNQ3 (0.41) PDE3BPDE3APDE4BKMT2AMEN1
SCHEMBL5546436 0.79 RAB9A (0.41) PDE3BPDE3AP2RY12PDE4BKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150225399-A1 HIV INTEGRASE INHIBITORS VIIV HEALTHCARE CO (US) 2015-08-13 US disclosed
US-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2014-09-11 US disclosed
EP-1720856-B1 HIV INTEGRASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-08-14 EP disclosed
US-20070124152-A1 Hiv Integrase Inhibitors GLAXOSMITHKLINE LLC 2007-05-31 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-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS BCDIN3D, DUT, SAMHD1 PDE3B 3560/4885PDE3A 3339/4885P2RY12 3710/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 PDE3B 3316/4885PDE3A 3100/4885P2RY12 4326/4885

“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.