SCHEMBL5873060

SCHEMBL5873060

Cc1cccc2c(-c3nc(C(=O)N4CCC(N(C)C)CC4)c(-c4cccnc4)s3)n[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.40
PIM1 P11309 2/20 0.40
PARP1 P09874 1/20 0.39
CCR5 P51681 3/20 0.38
KCNH2 Q12809 1/20 0.38
WNT1 P04628 1/20 0.38
ATR Q13535 2/20 0.37
KDM5A P29375 1/20 0.37
SIGLEC9 Q9Y336 2/20 0.36
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
CDK1 P06493 1/20 0.35
CDK4 P11802 1/20 0.35
CCNB1 P14635 1/20 0.35
CCND1 P24385 1/20 0.35
CCND3 P30281 1/20 0.35
CDK6 Q00534 1/20 0.35
CYP2C9 P11712 1/20 0.34
HTR2B P41595 1/20 0.34

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
SCHEMBL5768174 0.95 KDM5A (0.39) DYRK1APIM1PARP1CCR5KCNH2
SCHEMBL5772822 0.95 KDM5A (0.39) DYRK1APIM1PARP1CCR5KCNH2
SCHEMBL5873091 0.91 KDM5A (0.41) DYRK1APIM1CCR5KCNH2KDM5A
SCHEMBL5872806 0.91 DYRK1A (0.41) DYRK1APIM1PARP1CCR5KCNH2
SCHEMBL5769674 0.90 PIM1 (0.40) PIM1CCR5KCNH2KDM5ASIGLEC9
SCHEMBL5873097 0.89 KDM5A (0.39) DYRK1APIM1CCR5KCNH2KDM5A
SCHEMBL5872880 0.88 CYP2C9 (0.43) PIM1KDM5ACYP2C9
SCHEMBL5873211 0.88 CYP2C9 (0.48) PIM1KDM5ASIGLEC9CYP2C9
SCHEMBL5770048 0.88 PIM1 (0.43) PIM1KDM5A
SCHEMBL5795447 0.88 PIM1 (0.41) DYRK1APIM1

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-6984652-B2 Gyrase inhibitors WARNER-LAMBERT COMPANY LLC (US) 2006-01-10 US disclosed
US-20050250823-A1 Gyrase inhibitors YAGER KRAIG 2005-11-10 US disclosed
US-20050054697-A1 Gyrase inhibitors PFIZER INC. 2005-03-10 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 (2 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-20050054697-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B DYRK1A 1836/4885PIM1 1909/4885PARP1 211/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B DYRK1A 1836/4885PIM1 1909/4885PARP1 211/4885

“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.