SCHEMBL6446137

SCHEMBL6446137

Cc1nc2ccccc2n1CCn1c(C)nc2ccccc21

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.69
TNF P01375 1/20 0.68
PKM P14618 1/20 0.68
HTT P42858 2/20 0.66
TP53 P04637 1/20 0.66
GALR3 O60755 3/20 0.64
NR2F2 P24468 3/20 0.64
RAB9A P51151 2/20 0.64
NPC1 O15118 1/20 0.64
SMN1; SMN2 Q16637 2/20 0.62
ALDH1A1 P00352 1/20 0.62
TSHR P16473 1/20 0.62
MAPT P10636 1/20 0.57
AGER Q15109 1/20 0.57
APAF1 O14727 1/20 0.57
P2RX7 Q99572 1/20 0.54

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
SCHEMBL2330274 0.90 LMNA (0.69) LMNATNFPKMHTTTP53
SCHEMBL229041 0.90 POLB (0.67) LMNATNFPKMHTTTP53
SCHEMBL12479063 0.89 TNF (0.65) LMNATNFPKMHTTTP53
SCHEMBL10231515 0.89 PKM (0.60) LMNATNFPKMHTTTP53
SCHEMBL1520226 0.89 KMT2A (0.62) LMNATNFPKMHTTTP53
SCHEMBL760728 0.89 PKM (0.60) LMNATNFPKMHTTTP53
SCHEMBL540958 0.87 TNF (0.73) LMNATNFPKMHTTTP53
SCHEMBL1022300 0.87 TLR8 (0.69) LMNATNFPKMHTTTP53
SCHEMBL1104819 0.86 TNF (0.66) LMNATNFPKMHTTTP53
SCHEMBL12604332 0.86 TSHR (0.68) LMNATNFPKMHTTTP53

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-20050101772-A1 Non-metallocenes, method for the production thereof and the use thereof for the polymerisation of olefins CELANESE VENTURES GMBH (DE) 2005-05-12 US disclosed
EP-1373283-A1 NON-METALLOCENES, METHOD FOR THE PRODUCTION THEREOF AND THE USE THEREOF FOR THE POLYMERISATION OF OLEFINS Celanese Ventures GmbH (DE) 2004-01-02 EP disclosed
WO-2002066486-A1 NON-METALLOCENES, METHOD FOR THE PRODUCTION THEREOF AND THE USE THEREOF FOR THE POLYMERISATION OF OLEFINS CELANESE VENTURES GMBH (DE) 2002-08-29 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-20050101772-A1 Non-metallocenes, method for the production thereof and the use thereof for the polymerisation of olefins CPNE4, CYP4F12, PPOX LMNA 4565/4885TNF 4482/4885PKM 2136/4885

“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.