SCHEMBL8353560

SCHEMBL8353560

Cc1[nH]c2nc(-c3ccccc3)nc(NCCC(=O)NCC3CC3)c2c1C

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 9/20 0.66
▸ ADORA2A P29274 8/20 0.66
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PDE4B Q07343 1/20 0.40
▸ SIRT5 Q9NXA8 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ PDE5A O76074 1/20 0.37
▸ F2 P00734 1/20 0.37
▸ CKS1B P61024 1/20 0.36
▸ SKP1 P63208 1/20 0.36
▸ SKP2 Q13309 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36

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
SCHEMBL4261130 0.83 ADORA1 (0.76) ADORA1ADORA2ASIRT5KDM4EALDH1A1
SCHEMBL4258069 0.81 ADORA1 (0.72) ADORA1ADORA2ASIRT5PDE5AADORA3
SCHEMBL4252048 0.81 ADORA1 (0.76) ADORA1ADORA2ASMN1; SMN2POLBKDM4E
SCHEMBL4259473 0.80 ADORA1 (0.80) ADORA1ADORA2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL4253074 0.79 ADORA1 (1.00) ADORA1ADORA2AKDM4EALDH1A1TSHR
SCHEMBL8357988 0.78 ADORA1 (0.70) ADORA1ADORA2ASIRT5PDE5AADORA3
SCHEMBL4251897 0.78 ADORA1 (0.70) ADORA1ADORA2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL8357568 0.78 ADORA1 (0.70) ADORA1ADORA2ASIRT5KDM4EPDE5A
SCHEMBL4259626 0.78 ADORA1 (0.73) ADORA1ADORA2AALDH1A1HPGDPDE5A
SCHEMBL4253759 0.78 ADORA1 (0.88) ADORA1ADORA2AKDM4EALDH1A1TSHR

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 6 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
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
WO-2003048120-A2 2-ARYL PYRROLOGPYRIMIDINES FOR A1 AND A3 RECEPTORS OSI PHARMACEUTICALS, INC. (US) 2003-06-12 — — 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 (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 3/4885SMN1; SMN2 1085/4885

“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.

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