SCHEMBL871516

SCHEMBL871516

O=C(Nc1ccccc1)c1cccc(-n2c(=O)n(C3CCC(NC(=O)c4cn5ccccc5n4)CC3)c(=O)c3cc(F)cnc32)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.54
NPC1 O15118 6/20 0.54
TNKS O95271 1/20 0.42
KDM4E B2RXH2 6/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
GFER P55789 1/20 0.39
ALDH1A1 P00352 4/20 0.37
MAPT P10636 3/20 0.37
KMT2A Q03164 1/20 0.37
PDE4B Q07343 1/20 0.36
CYP1A2 P05177 1/20 0.36
GLA P06280 1/20 0.36
CYP2D6 P10635 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
CYP2C19 P33261 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36

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
SCHEMBL871515 1.00 RAB9A (0.54) RAB9ANPC1TNKSKDM4ESMN1; SMN2
SCHEMBL871133 0.93 NPC1 (0.49) RAB9ANPC1TNKSKDM4ESMN1; SMN2
SCHEMBL871132 0.93 NPC1 (0.49) RAB9ANPC1TNKSKDM4ESMN1; SMN2
SCHEMBL3016765 0.92 NPC1 (0.44) RAB9ANPC1TNKSKDM4ESMN1; SMN2
SCHEMBL4224554 0.91 NPC1 (0.46) RAB9ANPC1TNKSKDM4ESMN1; SMN2
SCHEMBL4224541 0.91 NPC1 (0.46) RAB9ANPC1TNKSKDM4ESMN1; SMN2
SCHEMBL871786 0.90 NPC1 (0.46) RAB9ANPC1TNKSKDM4ESMN1; SMN2
SCHEMBL872858 0.90 NPC1 (0.46) RAB9ANPC1TNKSKDM4ESMN1; SMN2
SCHEMBL870643 0.90 NPC1 (0.44) RAB9ANPC1TNKSKDM4ESMN1; SMN2
SCHEMBL870644 0.90 NPC1 (0.44) RAB9ANPC1TNKSKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2106396-B1 CHEMICAL COMPOUNDS 637: PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS ALCON RES LTD (US) 2014-09-24 EP disclosed
US-20120077801-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2012-03-29 US disclosed
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors ALCON RESEARCH, LTD. 2010-08-12 US disclosed
EP-2106396-A2 CHEMICAL COMPOUNDS 637: PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS AstraZeneca AB (SE) 2009-10-07 EP disclosed
US-20090124596-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2009-05-14 US disclosed
WO-2008084223-A2 CHEMICAL COMPOUNDS 637: PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS ASTRAZENECA AB (SE) 2008-07-17 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 (3 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-20120077801-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B RAB9A 1736/4885NPC1 2462/4885TNKS 1921/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B RAB9A 1736/4885NPC1 2462/4885TNKS 1921/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A RAB9A 1730/4885NPC1 3510/4885TNKS 1011/4885

“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.