SCHEMBL6073879

SCHEMBL6073879

NCCNC(=O)Nc1ccc2cnc(Nc3ccc(F)cc3)nc2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.52
MAPK8 P45983 5/20 0.52
MAPK9 P45984 5/20 0.52
MAPK10 P53779 5/20 0.52
STK17A Q9UEE5 2/20 0.43
STK17B O94768 1/20 0.43
AURKA O14965 2/20 0.41
MAPK1 P28482 3/20 0.41
MAPK14 Q16539 1/20 0.41
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
CCND2 P30279 1/20 0.40
CCND3 P30281 1/20 0.40
NPC1 O15118 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
EGFR P00533 1/20 0.39
ITK Q08881 1/20 0.39

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
SCHEMBL6073764 0.90 PIK3CA (0.53) PIK3CAMAPK8MAPK9MAPK10AURKA
SCHEMBL6073466 0.87 PIK3CA (0.52) PIK3CAMAPK8MAPK9MAPK10AURKA
SCHEMBL6073931 0.80 LMNA (0.53) PIK3CAMAPK8MAPK9MAPK10MAPK1
SCHEMBL6073788 0.78 PIK3CA (0.42) PIK3CAMAPK8MAPK9MAPK10MAPK1
SCHEMBL6074519 0.77 RAB9A (0.55) PIK3CAMAPK8MAPK9MAPK10AURKA
SCHEMBL6074500 0.75 PIK3CA (0.55) PIK3CAMAPK8MAPK9MAPK10MAPK1
SCHEMBL3974670 0.73 PTK2 (0.49) MAPK9MAPK10STK17AAURKACDK4
SCHEMBL6073848 0.73 CDK4 (0.47) MAPK8MAPK9MAPK10STK17ASTK17B
SCHEMBL4649214 0.72 CNR1 (0.59) NPC1KMT2A
SCHEMBL6073406 0.71 ALK (0.54) CDK4CCND1CCNE1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7053070-B2 Pyrido[2,3-d]pyrimidine-2,7-diamine kinase inhibitors WARNER-LAMBERT COMPANY (US) 2006-05-30 US claimed
US-20030073668-A1 Pyrido[2,3-d]pyrimidine-2,7-diamine kinase inhibitors BOOTH RICHARD JOHN (US) 2003-04-17 US claimed
CN-1395578-A Byrido [2,3-d] pyrimidine-2, 7-diamine kinase inhibitors WARNER LAMBERT CO (US) 2003-02-05 CN claimed
EP-1254137-A1 PYRIDO 2,3-d]PYRIMIDINE-2,7-DIAMINE KINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2002-11-06 EP claimed
WO-2001055147-A1 PYRIDO[2,3-d]PYRIMIDINE-2,7-DIAMINE KINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-08-02 WO claimed
US-7053070-B2 Pyrido[2,3-d]pyrimidine-2,7-diamine kinase inhibitors WARNER-LAMBERT COMPANY (US) 2006-05-30 US disclosed
US-20030073668-A1 Pyrido[2,3-d]pyrimidine-2,7-diamine kinase inhibitors BOOTH RICHARD JOHN (US) 2003-04-17 US disclosed
CN-1395578-A Byrido [2,3-d] pyrimidine-2, 7-diamine kinase inhibitors WARNER LAMBERT CO (US) 2003-02-05 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-20030073668-A1 Pyrido[2,3-d]pyrimidine-2,7-diamine kinase inhibitors CDK9, CDK19, CDK3 PIK3CA 299/4885MAPK8 240/4885MAPK9 28/4885

“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.