SCHEMBL15944484

SCHEMBL15944484

COc1ccc(Cn2nc(C(=N)N)c3cc(F)cnc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.49
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MET P08581 1/20 0.40
POLB P06746 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
PDE8B O95263 1/20 0.39
PDE1B Q01064 3/20 0.38
MAPT P10636 2/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
ALOX15 P16050 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
USP2 O75604 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 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
Acetic Acid SCHEMBL15633156 0.95 PDE5A (0.48) PDE5AMEN1KMT2APOLBGRIN1
SCHEMBL13733813 0.89 PDE5A (0.49) PDE5AMEN1KMT2AMETPOLB
SCHEMBL14488135 0.82 PDE5A (0.46) PDE5AMEN1KMT2APOLBGRIN1
SCHEMBL16370224 0.82 PDE8B (0.40) PDE5AMEN1KMT2APOLBPDE8B
SCHEMBL19264334 0.82 PDE5A (0.54) PDE5AMETPDE1BMAPTCNR1
SCHEMBL15111637 0.81 PDE5A (0.55) PDE5AMETGRIN1GRIN2BPDE1B
SCHEMBL15937438 0.81 GRIN1 (0.34) PDE5AGRIN1GRIN2B
SCHEMBL13733152 0.78 PDE5A (0.53) PDE5AMEN1KMT2AMETGRIN1
Acetic Acid SCHEMBL15937484 0.77 GRIN1 (0.35) PDE5AGRIN1GRIN2BLMNA
SCHEMBL31120382 0.77 PDE5A (0.37) PDE5A

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-2729476-B1 HETEROARYL SUBSTITUTED PYRAZOLOPYRIDINES AND THEIR USE AS STIMULATORS OF SOLUBLE GUANYLATE CYCLASE BAYER IP GMBH (DE) 2017-08-23 EP disclosed
US-9505786-B2 Substituted annulated triazines and use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-11-29 US disclosed
US-9505786-B2 Substituted annulated triazines and use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-11-29 US disclosed
US-20150274754-A1 SUBSTITUTED ANNULATED TRIAZINES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-10-01 US disclosed
US-20150274754-A1 SUBSTITUTED ANNULATED TRIAZINES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-10-01 US disclosed
US-9090610-B2 Fluoroalkyl-substituted pyrazolopyridines and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-28 US disclosed
US-9090610-B2 Fluoroalkyl-substituted pyrazolopyridines and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-28 US disclosed
US-20140357637-A1 SUBSTITUTED ANNULATED PYRIMIDINES AND TRIAZINES, AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-12-04 US disclosed
US-20140357637-A1 SUBSTITUTED ANNULATED PYRIMIDINES AND TRIAZINES, AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-12-04 US disclosed
US-20140228366-A1 HETEROARYL-SUBSTITUTED PYRAZOLOPYRIDINES AND USE THEREOF AS SOLUBLE GUANYLATE CYCLASE STIMULATORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-08-14 US disclosed
US-20140228366-A1 HETEROARYL-SUBSTITUTED PYRAZOLOPYRIDINES AND USE THEREOF AS SOLUBLE GUANYLATE CYCLASE STIMULATORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-08-14 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 (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-20150274754-A1 SUBSTITUTED ANNULATED TRIAZINES AND USE THEREOF TPMT, GOT2, TYMP PDE5A 1225/4885MEN1 2632/4885KMT2A 2232/4885
US-20140228366-A1 HETEROARYL-SUBSTITUTED PYRAZOLOPYRIDINES AND USE THEREOF AS SOLUBLE GUANYLATE CYCLASE STIMULATORS GUCY1A2, GUCY1B2, GUCY1B1 PDE5A 8/4885MEN1 2893/4885KMT2A 4512/4885
US-20140357637-A1 SUBSTITUTED ANNULATED PYRIMIDINES AND TRIAZINES, AND USE THEREOF TYMP, DPYD, TYMS PDE5A 1705/4885MEN1 3566/4885KMT2A 2247/4885

“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.