SCHEMBL871183

SCHEMBL871183

OCc1cn2cc(F)ccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.47
MCHR1 Q99705 1/20 0.45
METTL3 Q86U44 3/20 0.43
APP P05067 1/20 0.43
CYP11B1 P15538 3/20 0.42
CYP11B2 P19099 3/20 0.42
TP53 P04637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAP3K5 Q99683 1/20 0.40
CLK1 P49759 1/20 0.40
DYRK1A Q13627 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A3 P47895 2/20 0.38
POLB P06746 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
HTR1A P08908 1/20 0.37

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
SCHEMBL22529082 0.81 GRM5 (0.47) GRM5METTL3APPCYP11B1CYP11B2
SCHEMBL103426 0.81 GRM5 (0.47) GRM5METTL3APPCYP11B1CYP11B2
SCHEMBL8180039 0.81 GRM5 (0.47) GRM5METTL3APPCYP11B1CYP11B2
SCHEMBL870522 0.79 NPC1 (0.50) MCHR1METTL3APPTP53ALDH1A1
Hydrochloric Acid SCHEMBL27146172 0.78 ALDH1A1 (0.55) GRM5METTL3APPTP53ALDH1A1
SCHEMBL14758258 0.78 MCHR1 (0.42) MCHR1TP53ALDH1A1NPC1RAB9A
SCHEMBL9598420 0.78 KDM4E (0.63) TP53ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL973963 0.78 DRD2 (0.43) MCHR1APPTP53ALDH1A1NPC1
SCHEMBL9598573 0.78 PIK3CG (0.55) MCHR1METTL3APPTP53ALDH1A1
SCHEMBL103410 0.75 GRM5 (0.57) GRM5METTL3APPCYP11B1CYP11B2

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 11 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-20120077801-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2012-03-29 US 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
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors ALCON RESEARCH, LTD. 2010-08-12 US disclosed
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors ALCON RESEARCH, LTD. 2010-08-12 US disclosed
US-20090124596-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2009-05-14 US disclosed
US-20090124596-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2009-05-14 US 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 GRM5 1443/4885MCHR1 3165/4885METTL3 4496/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B GRM5 1443/4885MCHR1 3165/4885METTL3 4496/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A GRM5 1920/4885MCHR1 4069/4885METTL3 4432/4885

“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.