SCHEMBL13779172

SCHEMBL13779172

CCN(CC)C(=O)NCCNc1nc(-c2ccccc2)nc2[nH]c(C)c(C)c12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 10/20 0.77
▸ ADORA2A P29274 9/20 0.77
▸ ALDH1A1 P00352 3/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ HBB P68871 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ PDE5A O76074 2/20 0.39
▸ CLK4 Q9HAZ1 1/20 0.39
▸ ADORA3 P0DMS8 2/20 0.39
▸ ADORA2B P29275 1/20 0.39
▸ MEN1 O00255 1/20 0.38

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
SCHEMBL4259473 0.87 ADORA1 (0.80) ADORA1ADORA2AALDH1A1CYP1A2CYP3A4
SCHEMBL4253074 0.87 ADORA1 (1.00) ADORA1ADORA2AALDH1A1CYP1A2CYP3A4
SCHEMBL4259272 0.84 ADORA1 (0.78) ADORA1ADORA2AALDH1A1CYP1A2CYP3A4
SCHEMBL8357605 0.83 ADORA1 (0.80) ADORA1ADORA2AALDH1A1CYP1A2CYP3A4
SCHEMBL4252048 0.82 ADORA1 (0.76) ADORA1ADORA2AALDH1A1TSHRKDM4E
SCHEMBL4261130 0.82 ADORA1 (0.76) ADORA1ADORA2AALDH1A1KDM4ERECQL
SCHEMBL4249496 0.81 ADORA1 (0.70) ADORA1ADORA2AALDH1A1CYP1A2CYP3A4
SCHEMBL4251897 0.81 ADORA1 (0.70) ADORA1ADORA2AALDH1A1TSHRKDM4E
SCHEMBL4259626 0.81 ADORA1 (0.73) ADORA1ADORA2AALDH1A1MAPTLMNA
SCHEMBL4253759 0.81 ADORA1 (0.88) ADORA1ADORA2AALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2050751-A1 Compounds specific to adenosine A1 and A3 receptors and uses thereof OSI Pharmaceuticals, Inc. (US) 2009-04-22 — — EP 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
US-7160890-B2 Compounds specific to adenosine A3 receptor and uses thereof OSI PHARMACEUTICALS, INC. (US) 2007-01-09 — — US disclosed
US-7160890-B2 Compounds specific to adenosine A3 receptor and uses thereof OSI PHARMACEUTICALS, INC. (US) 2007-01-09 — — 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 ADORA1 2/4885ADORA2A 3/4885ALDH1A1 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.

Send feedback