SCHEMBL10070310

SCHEMBL10070310

Nc1nc(CC2CCN(C(=O)Oc3ccccc3Cl)CC2)nc2[nH]cnc12

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ FAAH O00519 3/20 0.37
▸ CDK1 P06493 5/20 0.37
▸ CDK4 P11802 5/20 0.37
▸ CCND1 P24385 5/20 0.37
▸ CDK2 P24941 5/20 0.37
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ SCD O00767 2/20 0.35
▸ GRIN2B Q13224 1/20 0.34
▸ DCPS Q96C86 1/20 0.34

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
SCHEMBL559355 0.84 ADORA2A (0.41) CASP3MEN1KMT2AALDH1A1FAAH
SCHEMBL12467509 0.74 ADORA3 (0.55) —
SCHEMBL560112 0.74 ADORA2A (0.44) CASP3MEN1KMT2ACDK1CDK4
SCHEMBL10458562 0.73 ADORA2A (0.59) —
SCHEMBL8647407 0.71 CDK2 (0.37) CDK1CDK2
SCHEMBL559730 0.71 ADORA2A (0.43) —
SCHEMBL14389793 0.70 GAA (0.46) CASP3MEN1KMT2AKDM4EALDH1A1
SCHEMBL12374024 0.70 PDE8B (0.33) —
SCHEMBL560133 0.70 ADORA2A (0.43) CASP3SMN1; SMN2FAAH
SCHEMBL558780 0.69 CASP3 (0.43) CASP3MEN1KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120309774-A1 SELECTIVE ANTAGONISTS OF A2A ADENOSINE RECEPTORS ADENOSINE THERAPEUTICS, LLC 2012-12-06 — — US disclosed
US-20120035192-A1 SELECTIVE ANTAGONISTS OF A2A ADENOSINE RECEPTORS ADENOSINE THERAPEUTICS, LLC 2012-02-09 — — US disclosed
US-7985754-B2 Selective antagonists of A2A adenosine receptors TROVIS PHARMACEUTICALS, LLC (US) 2011-07-26 — — US disclosed
US-20090118309-A1 Selective antagonists of A2A adenosine receptors ADENOSINE THERAPEUTICS, LLC 2009-05-07 — — 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-20120309774-A1 SELECTIVE ANTAGONISTS OF A2A ADENOSINE RECEPTORS ADORA2A, ADORA3, ADORA2B CASP3 3716/4885MEN1 3500/4885KMT2A 2130/4885
US-20090118309-A1 Selective antagonists of A2A adenosine receptors ADORA2A, ADORA3, ADORA2B CASP3 3716/4885MEN1 3500/4885KMT2A 2130/4885
US-20120035192-A1 SELECTIVE ANTAGONISTS OF A2A ADENOSINE RECEPTORS ADORA2A, ADORA3, ADORA2B CASP3 3716/4885MEN1 3500/4885KMT2A 2130/4885

“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