SCHEMBL4814372

SCHEMBL4814372

Nc1nc[nH]c2nc(-c3ccccc3)cc1-2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.51
ADORA1 P30542 4/20 0.51
ADORA3 P0DMS8 1/20 0.51
MAPT P10636 5/20 0.44
KDM4E B2RXH2 5/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
LMNA P02545 3/20 0.44
PDPK1 O15530 2/20 0.43
MKNK1 Q9BUB5 2/20 0.43
MKNK2 Q9HBH9 2/20 0.43
CDK1 P06493 1/20 0.43
CDK2 P24941 1/20 0.43
SMARCA2 P51531 1/20 0.43
SMARCA4 P51532 1/20 0.43
PBRM1 Q86U86 1/20 0.43
XDH P47989 2/20 0.42
CYP1A1 P04798 1/20 0.42

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
Hydrochloric Acid SCHEMBL8125780 0.74 ADORA2A (0.45) ADORA2AADORA1ADORA3MAPTKDM4E
SCHEMBL31420351 0.73 MKNK1 (0.49) ADORA2AADORA1PDPK1MKNK1MKNK2
SCHEMBL7054354 0.68 ADORA3 (0.49) ADORA2AADORA1ADORA3MAPTKDM4E
SCHEMBL8720043 0.67 KDM4E (0.43) ADORA2AADORA1ADORA3MAPTKDM4E
SCHEMBL22502929 0.66 CYP19A1 (0.51) ADORA2AADORA1MAPTKDM4EMEN1
SCHEMBL4904514 0.65 ADORA2A (1.00) ADORA2AADORA1ADORA3MAPTKDM4E
SCHEMBL4257668 0.65 ADORA2A (0.67) ADORA2AADORA1MAPTKDM4EMEN1
SCHEMBL20961746 0.65 ATR (0.58)
SCHEMBL4036242 0.64 F12 (0.39) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL17047970 0.64 DCPS (0.43) ADORA3MAPTKDM4EKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101560214-B 4-amino-6-phenyl-pyrrolo[2, 3-d]pyrimidine derivatives NOVARTIS AG 2011-05-25 CN disclosed
CN-101560214-B 4-amino-6-phenyl-pyrrolo[2, 3-d]pyrimidine derivatives NOVARTIS AG 2011-05-25 CN disclosed
CN-101560214-B 4-amino-6-phenyl-pyrrolo[2, 3-d]pyrimidine derivatives NOVARTIS AG 2011-05-25 CN disclosed
CN-101560214-A 4-amino-6-phenyl-pyrrolo[2, 3-d]pyrimidine derivatives NOVARTIS AG (CH) 2009-10-21 CN disclosed
CN-101560214-A 4-amino-6-phenyl-pyrrolo[2, 3-d]pyrimidine derivatives NOVARTIS AG (CH) 2009-10-21 CN disclosed
CN-101560214-A 4-amino-6-phenyl-pyrrolo[2, 3-d]pyrimidine derivatives NOVARTIS AG (CH) 2009-10-21 CN disclosed
US-7390805-B2 4-amino-6-phenyl-pyrrolo[2,3-d]pyrimidine derivatives NOVARTIS AG (CH) 2008-06-24 US disclosed
US-7244729-B2 4-amino-6-phenyl-pyrrolo[2,3-d]pyrimidine derivatives NOVARTIS AG (CH) 2007-07-17 US disclosed
US-20040242600-A1 4-amino-6-phenyl-pyrrolo[2,3-d]pyrimidine derivatives NOVARTIS AG (CH) 2004-12-02 US disclosed
CN-1538847-A 4-amino-6-phenyl-pyrrolo [2, 3-d ] pyrimidine derivatives ��˹��ŵ�� 2004-10-20 CN 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-20040242600-A1 4-amino-6-phenyl-pyrrolo[2,3-d]pyrimidine derivatives DPYD, TYMP, TYMS ADORA2A 783/4885ADORA1 386/4885ADORA3 799/4885

“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.