SCHEMBL4892845

SCHEMBL4892845

CCc1c(N)ccc2c1[nH]c1cc(N)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.44
KIF11 P52732 3/20 0.41
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
IMPDH2 P12268 1/20 0.37
AR P10275 1/20 0.36
MAPT P10636 2/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 5/20 0.33
ALDH1A1 P00352 4/20 0.33
HPGD P15428 4/20 0.33
HSD17B10 Q99714 4/20 0.33
DYRK1A Q13627 4/20 0.33
GLA P06280 3/20 0.33
CYP3A4 P08684 2/20 0.33
LMNA P02545 2/20 0.33
CYP2D6 P10635 2/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL1026408 0.82 MAPT (0.48) KIF11MAPTMAPK1NPSR1KDM4E
SCHEMBL8650480 0.75 IMPDH2 (0.50) PARP1KIF11CDK4CCND1IMPDH2
SCHEMBL5914556 0.73 POLB (0.50) PARP1KIF11CDK4CCND1IMPDH2
SCHEMBL64877 0.72 KIF11 (0.67) PARP1KIF11CDK4CCND1IMPDH2
SCHEMBL29683901 0.72 KIF11 (0.67) PARP1KIF11CDK4CCND1IMPDH2
SCHEMBL29206621 0.68 DYRK1A (0.43) CDK4CCND1IMPDH2MAPTMAPK1
SCHEMBL23150422 0.68 CCNB2 (0.68) MAPTMAPK1NPSR1KDM4EALDH1A1
SCHEMBL29122856 0.68 PIM3 (0.44) KIF11CDK4CCND1ARNPSR1
SCHEMBL8026806 0.67 KDM4E (0.50) PARP1KIF11MAPTMAPK1NPSR1
SCHEMBL8049063 0.67 AR (0.55) PARP1KIF11CDK4CCND1AR

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-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-05-01 US claimed

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-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 PARP1 2050/4885KIF11 779/4885CDK4 694/4885

“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.