SCHEMBL871216

SCHEMBL871216

OCc1cn2c(n1)CCCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
LMNA P02545 4/20 0.44
WDR5 P61964 3/20 0.41
NPC1 O15118 6/20 0.40
RAB9A P51151 6/20 0.40
HTT P42858 3/20 0.40
TSHR P16473 1/20 0.40
PDPK1 O15530 1/20 0.40
TPH1 P17752 6/20 0.39
TPH2 Q8IWU9 6/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TP53 P04637 2/20 0.39
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
SMO Q99835 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
GFER P55789 1/20 0.35

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
SCHEMBL25282885 0.94 WDR5 (0.46) ALDH1A1LMNAWDR5NPC1RAB9A
SCHEMBL2608601 0.86 ALDH1A1 (0.42) ALDH1A1LMNAWDR5NPC1RAB9A
SCHEMBL8188906 0.81 LMNA (0.47) ALDH1A1LMNAWDR5NPC1RAB9A
SCHEMBL22920064 0.81 ALDH1A1 (0.44) ALDH1A1LMNAWDR5NPC1RAB9A
SCHEMBL25060981 0.80 LMNA (0.46) ALDH1A1LMNAWDR5NPC1RAB9A
SCHEMBL25061139 0.80 LMNA (0.46) ALDH1A1LMNAWDR5NPC1RAB9A
SCHEMBL23349372 0.80 LMNA (0.46) ALDH1A1LMNAWDR5NPC1RAB9A
SCHEMBL28803971 0.80 TP53 (0.41) ALDH1A1LMNAWDR5NPC1RAB9A
SCHEMBL16741185 0.79 ALDH1A1 (0.42) ALDH1A1LMNAWDR5NPC1RAB9A
SCHEMBL21946945 0.77 LMNA (0.44) ALDH1A1LMNAWDR5NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9695178-B2 6-(2-pyridyl)-7,8-dihydro-5H-pyrido[4,3-D]pyrimidine analogs as hedgehog pathway signaling inhibitors and therapeutic applications thereof SUZHOU KINTOR PHARMACEUTICALS, INC. (CN) 2017-07-04 US disclosed
EP-2106396-B1 CHEMICAL COMPOUNDS 637: PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS ALCON RES LTD (US) 2014-09-24 EP disclosed
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 ALDH1A1 331/4885LMNA 3015/4885WDR5 3753/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B ALDH1A1 331/4885LMNA 3015/4885WDR5 3753/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A ALDH1A1 295/4885LMNA 2838/4885WDR5 2403/4885

“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.