SCHEMBL3882916

SCHEMBL3882916

COC(=O)c1cc2c(s1)c(NC(=O)c1ccccc1N1CCOCC1)nn2C(=O)c1ccccc1N1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 1/20 0.43
LMNA P02545 1/20 0.42
TSHR P16473 2/20 0.41
BRPF1 P55201 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
AURKA O14965 2/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL3882918 0.84 AURKA (0.47) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL3891657 0.75 AURKA (0.53) AURKAPOLB
SCHEMBL3882164 0.73 AURKA (0.47) SMN1; SMN2AURKAPOLB
SCHEMBL3879927 0.73 AURKA (0.44) AURKA
Hydrochloric Acid SCHEMBL741877 0.71 ALDH1A1 (0.44) KMT2AMEN1MAPTLMNAUSP2
SCHEMBL17858460 0.70 CHRNA7 (0.57) KMT2AMEN1MAPTTSHRALDH1A1
SCHEMBL7743758 0.70 GAA (0.59) KMT2AMEN1MAPTTSHRALDH1A1
SCHEMBL3887134 0.69 ALDH1A1 (0.43) KMT2AMEN1MAPTLMNATSHR
SCHEMBL3879467 0.68 AURKA (0.71) AURKA
SCHEMBL7038354 0.68 MEN1 (0.51) KMT2AMEN1MAPTTSHRBRPF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7485661-B2 Heterobicyclic pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2009-02-03 US disclosed
US-20060160874-A1 Heterobicyclic pyrazole derivatives as kinase inhibitors PHARMACIA ITALIA S.P.A. (IT) 2006-07-20 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-20060160874-A1 Heterobicyclic pyrazole derivatives as kinase inhibitors MAP2K2, MAP3K15, MAP3K5 KMT2A 2101/4885MEN1 3298/4885MAPT 2511/4885

“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.