SCHEMBL6073725

SCHEMBL6073725

CNc1ccc2cnc(SC)nc2n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.39
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
NTRK1 P04629 1/20 0.33
HASPIN Q8TF76 1/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.33
AKT1 P31749 2/20 0.32
AKT2 P31751 2/20 0.32
HCAR3 P49019 1/20 0.32
AHR P35869 1/20 0.31
MAPT P10636 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
NNMT P40261 1/20 0.31

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
SCHEMBL29827832 0.78 CCR1 (0.38) MEN1KMT2ARAB9AHASPIN
SCHEMBL15263560 0.78 CCR1 (0.38) MEN1KMT2ARAB9AHASPIN
SCHEMBL6073584 0.75 MEN1 (0.45) MEN1KMT2ANPC1NTRK1HASPIN
SCHEMBL15507399 0.75 MEN1 (0.36) MEN1KMT2ANTRK1HASPINAKT1
SCHEMBL6073481 0.75 HASPIN (0.41) NCF1MEN1KMT2ANTRK1HASPIN
SCHEMBL25230105 0.75 MEN1 (0.38) MEN1KMT2ANPC1RAB9ANTRK1
SCHEMBL5914036 0.72 MEN1 (0.51) NCF1MEN1KMT2ANPC1RAB9A
SCHEMBL22612727 0.71 KDM4E (0.35) MEN1KMT2ANPC1RAB9AHASPIN
SCHEMBL6074035 0.70 NCF1 (0.37) NCF1HCAR3
SCHEMBL18193691 0.69 RPS6KA5 (0.41) MEN1KMT2ANPC1RAB9ANTRK1

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 4 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 disclosed
US-20030073668-A1 Pyrido[2,3-d]pyrimidine-2,7-diamine kinase inhibitors BOOTH RICHARD JOHN (US) 2003-04-17 US disclosed
EP-1254137-A1 PYRIDO 2,3-d]PYRIMIDINE-2,7-DIAMINE KINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2002-11-06 EP disclosed
WO-2001055147-A1 PYRIDO[2,3-d]PYRIMIDINE-2,7-DIAMINE KINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-08-02 WO 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 NCF1 1813/4885MEN1 4797/4885KMT2A 2672/4885

“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.