SCHEMBL13655430

SCHEMBL13655430

c1ccc(-c2nc(NCCc3cccnc3)c3cc[nH]c3n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 12/20 0.67
PDE5A O76074 7/20 0.61
ALDH1A1 P00352 4/20 0.55
CYP1A2 P05177 3/20 0.55
CYP3A4 P08684 3/20 0.55
CYP2D6 P10635 3/20 0.55
CYP2C19 P33261 3/20 0.55
POLB P06746 1/20 0.55
CYP2C9 P11712 1/20 0.55
MAPK1 P28482 3/20 0.53
KDM4E B2RXH2 1/20 0.53
TSHR P16473 2/20 0.51
HSD17B10 Q99714 2/20 0.51
CLK4 Q9HAZ1 2/20 0.51
LMNA P02545 2/20 0.49
MEN1 O00255 1/20 0.49
USP2 O75604 1/20 0.49
TP53 P04637 1/20 0.49
PTGS1 P23219 1/20 0.49
TBXAS1 P24557 1/20 0.49

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
SCHEMBL13779087 0.87 KDM4E (0.62) GBA1PDE5APOLBMAPK1KDM4E
SCHEMBL3847530 0.81 CYP3A4 (0.61) GBA1PDE5AALDH1A1CYP1A2CYP3A4
SCHEMBL18354079 0.80 GBA1 (1.00) GBA1PDE5AALDH1A1CYP1A2CYP3A4
SCHEMBL8357906 0.79 GBA1 (0.59) GBA1PDE5ACYP1A2MAPK1KDM4E
SCHEMBL8354589 0.77 PDE5A (0.46) GBA1PDE5AALDH1A1CYP1A2CYP3A4
SCHEMBL7278036 0.76 GBA1 (1.00) GBA1PDE5AALDH1A1CYP1A2CYP3A4
SCHEMBL3956648 0.74 KMT2A (0.53) GBA1PDE5AALDH1A1POLBMAPK1
SCHEMBL8357968 0.73 ADORA1 (0.45) GBA1PDE5AALDH1A1CYP1A2CYP3A4
SCHEMBL8355325 0.73 GSK3A (0.73) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL7746302 0.72 ADORA1 (0.62) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1450811-B1 Compounds specific to adenosine A1 and A3 receptors and uses thereof OSI PHARM INC (US) 2009-10-21 EP disclosed
US-20090192177-A1 2-ARYL pyrrologpyrimidines for A1 and A3 receptors OSI PHARMACEUTICALS, INC. 2009-07-30 US disclosed
US-20090192177-A1 2-ARYL pyrrologpyrimidines for A1 and A3 receptors OSI PHARMACEUTICALS, INC. 2009-07-30 US disclosed
US-7504407-B2 Compounds specific to adenosine A1 and A3 receptors and uses thereof OSI PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
US-7504407-B2 Compounds specific to adenosine A1 and A3 receptors and uses thereof OSI PHARMACEUTICALS, INC. (US) 2009-03-17 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 (1 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-20090192177-A1 2-ARYL pyrrologpyrimidines for A1 and A3 receptors ADORA3, ADORA1, ADORA2A GBA1 373/4885PDE5A 877/4885ALDH1A1 265/4885

“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.