SCHEMBL14301780

SCHEMBL14301780

Cc1cnn2c(NCc3cccc(NC(=O)NC4CCCC4)c3)cc(-c3ccccc3Cl)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 4/20 0.47
▸ GSK3B P49841 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ TSHR P16473 3/20 0.42
▸ EPHX2 P34913 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ DCUN1D1 Q96GG9 1/20 0.42
▸ CCKBR P32239 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ EPHX1 P07099 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CDK7 P50613 1/20 0.40
▸ CCNH P51946 1/20 0.40
▸ MNAT1 P51948 1/20 0.40
▸ ACKR3 P25106 4/20 0.40
▸ EGFR P00533 1/20 0.40
▸ ERBB2 P04626 1/20 0.40

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
SCHEMBL12954117 0.92 CDK2 (0.59) CDK2GSK3BSMN1; SMN2
SCHEMBL14607101 0.89 GSK3B (0.50) CDK2GSK3BSMN1; SMN2CDK7CCNH
SCHEMBL14607199 0.88 CDK2 (0.51) CDK2GSK3BNPC1RAB9AMEN1
SCHEMBL13289337 0.87 GSK3B (0.50) CDK2GSK3BKDR
SCHEMBL14607200 0.86 CDK2 (0.49) CDK2GSK3BSMN1; SMN2NPC1RAB9A
SCHEMBL13305692 0.85 CDK2 (0.48) CDK2GSK3BNPC1RAB9AMEN1
SCHEMBL14545278 0.85 CDK2 (0.47) CDK2GSK3BSMN1; SMN2NPC1RAB9A
SCHEMBL13121673 0.84 CDK2 (0.63) CDK2GSK3B
SCHEMBL13305611 0.82 CDK2 (0.48) CDK2GSK3BNPC1RAB9AHTT
SCHEMBL14581634 0.82 CDK2 (0.49) CDK2GSK3BSMN1; SMN2CDK7CCNH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080050384-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors SHERING CORPORATION AND PHARMACOPEIA, INC. 2008-02-28 — — 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-20080050384-A1 Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors CDK2, CDK1, CDKN1A CDK2 1/4885GSK3B 695/4885SMN1; SMN2 2337/4885

“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.

Send feedback