SCHEMBL6074099

SCHEMBL6074099

O=C(NCCCN1CCOCC1)Nc1ccc2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 1/20 0.46
GAA P10253 1/20 0.44
CDK4 P11802 5/20 0.42
CCND1 P24385 5/20 0.42
CDK2 P24941 4/20 0.42
STK17A Q9UEE5 2/20 0.42
CCNA2 P20248 2/20 0.42
STK17B O94768 1/20 0.42
CCNE1 P24864 2/20 0.42
PRMT3 O60678 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
MAPK1 P28482 4/20 0.42
MARK3 P27448 1/20 0.41
IKBKE Q14164 1/20 0.41
BRSK2 Q8IWQ3 1/20 0.41
AURKB Q96GD4 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
TBK1 Q9UHD2 1/20 0.41

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
SCHEMBL6073864 0.89 JAK3 (0.50) SMN1; SMN2MAPTCDK4CCND1CDK2
SCHEMBL6074149 0.88 CDK4 (0.46) CDK4CCND1CDK2STK17ACCNA2
SCHEMBL6073931 0.88 LMNA (0.53) SMN1; SMN2MAPTPRMT3MAPK1PIK3CA
SCHEMBL6074268 0.88 CDK4 (0.47) CDK4CCND1CDK2STK17ACCNA2
SCHEMBL6073848 0.87 CDK4 (0.47) CDK4CCND1CDK2STK17ACCNA2
SCHEMBL6073488 0.84 CDK4 (0.50) CDK4CCND1CDK2CCNA2CCNE1
SCHEMBL6073942 0.84 CDK4 (0.47) CDK4CCND1CDK2STK17ACCNA2
SCHEMBL7546855 0.81 CDK4 (0.50) CDK4CCND1CDK2STK17ACCNA2
SCHEMBL6074273 0.79 CDK4 (0.54) CDK4CCND1CDK2CCNA2CCNE1
SCHEMBL6073486 0.79 CDK4 (0.50) CDK4CCND1CDK2CCNA2CCNE1

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 3 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
US-7053070-B2 Pyrido[2,3-d]pyrimidine-2,7-diamine kinase inhibitors WARNER-LAMBERT COMPANY (US) 2006-05-30 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 SMN1; SMN2 3957/4885MAPT 4678/4885GAA 4178/4885

“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.