SCHEMBL6073553

SCHEMBL6073553

O=C(Nc1ccc2cnc(Nc3ccncc3)nc2n1)NC1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.56
AURKB Q96GD4 2/20 0.54
POLB P06746 1/20 0.49
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
JAK3 P52333 1/20 0.47
GAA P10253 2/20 0.45
AAK1 Q2M2I8 1/20 0.44
AURKA O14965 1/20 0.43
PRMT3 O60678 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
EPHX2 P34913 2/20 0.41
NPC1 O15118 2/20 0.39
ALDH1A1 P00352 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
SCHEMBL6074519 0.89 RAB9A (0.55) EPHX1AURKBPOLBJAK2JAK1
SCHEMBL6075027 0.85 CA1 (0.56) AURKBPOLBJAK2JAK1JAK3
SCHEMBL6074017 0.83 EPHX1 (0.51) EPHX1AURKBPOLBJAK2JAK1
SCHEMBL6074226 0.82 CDK4 (0.54) AURKBGAA
SCHEMBL6073427 0.82 EPHX1 (0.52) EPHX1AURKBPOLBJAK2JAK1
SCHEMBL6073405 0.81 CDK4 (0.54)
SCHEMBL6074659 0.81 SYK (0.58) AURKB
SCHEMBL6074595 0.81 CDK4 (0.47) AURKBJAK2JAK1JAK3AURKA
SCHEMBL6074026 0.81 CDK4 (0.49) AURKBJAK2JAK1JAK3GAA
SCHEMBL6074023 0.81 CDK4 (0.49) AURKBJAK2JAK1JAK3GAA

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-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
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

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 EPHX1 3244/4885AURKB 308/4885POLB 422/4885

“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.