SCHEMBL4369855

SCHEMBL4369855

Nc1nc(-c2ccco2)c2ccnc-2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 2/20 0.58
CDK5R1 Q15078 2/20 0.58
MEN1 O00255 4/20 0.47
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 4/20 0.47
POLB P06746 3/20 0.47
MAPT P10636 3/20 0.47
PKM P14618 3/20 0.47
ALOX15 P16050 3/20 0.47
CASP1 P29466 3/20 0.47
BLM P54132 3/20 0.47
CASP7 P55210 3/20 0.47
HSD17B10 Q99714 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
PTPN7 P35236 2/20 0.47
RECQL P46063 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
USP2 O75604 1/20 0.47

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
SCHEMBL4367099 0.83 ALDH1A1 (0.46) CDK5CDK5R1MEN1ALDH1A1KMT2A
SCHEMBL4369473 0.80 MEN1 (0.42) CDK5CDK5R1MEN1ALDH1A1KMT2A
SCHEMBL5158000 0.78 CDK5 (0.58) CDK5CDK5R1MEN1ALDH1A1KMT2A
SCHEMBL30090954 0.77 MAPT (0.50) CDK5CDK5R1MEN1ALDH1A1KMT2A
SCHEMBL1988192 0.74 CDK5 (1.00) CDK5CDK5R1MEN1ALDH1A1KMT2A
SCHEMBL7149792 0.71 XDH (0.59) CDK5CDK5R1MEN1ALDH1A1KMT2A
SCHEMBL7146850 0.71 XDH (0.59) CDK5CDK5R1MEN1ALDH1A1KMT2A
SCHEMBL1057968 0.70 ALDH1A1 (0.43) CDK5CDK5R1MEN1ALDH1A1KMT2A
SCHEMBL3456697 0.69 XDH (0.54) CDK5CDK5R1MEN1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL28275525 0.69 ALDH1A1 (0.42) CDK5CDK5R1MEN1ALDH1A1KMT2A

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
US-7598256-B2 Parkinson's disease; antidepressants; cognition activators; attention deficit disorders; narcolepsy; N,N-dimethyl-4-(2-furyl)-1H-pyrrolo[2,3- d]pyrimidine-2-amine VERNALIS RESEARCH LIMITED (GB) 2009-10-06 US disclosed
EP-1363639-B1 PYRROLO 2,3-d PYRIMIDINE AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RES LTD (GB) 2008-08-20 EP disclosed
US-7098333-B2 Pyrrolo[2,3-d]pyrimidine and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED (GB) 2006-08-29 US disclosed
US-20060128731-A1 Pyrrolo [2,3-d] pyrimidine and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED 2006-06-15 US disclosed
US-20040092537-A1 Pyrrolo[2,3-d]pyrimidine and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED (GB) 2004-05-13 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 (2 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-20060128731-A1 Pyrrolo [2,3-d] pyrimidine and their use as purinergic receptor antagonists CHRNA6, CNR1, ADORA2A CDK5 495/4885CDK5R1 179/4885MEN1 4873/4885
US-20040092537-A1 Pyrrolo[2,3-d]pyrimidine and their use as purinergic receptor antagonists CNR1, CNR2, CHRNA6 CDK5 938/4885CDK5R1 318/4885MEN1 4883/4885

“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.