SCHEMBL3337898

SCHEMBL3337898

N[C@@H](CN1CCOCC1)c1ccc(F)cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.67
ACHE P22303 2/20 0.56
ATM Q13315 3/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MITF O75030 1/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HTT P42858 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
IGF1R P08069 1/20 0.40
KCNH2 Q12809 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
SCHEMBL3337410 1.00 KDM4E (0.67) KDM4EACHEATMALDH1A1MAPT
SCHEMBL23112909 1.00 KDM4E (0.67) KDM4EACHEATMALDH1A1MAPT
Hydrochloric Acid SCHEMBL28546909 0.98 KDM4E (0.65) KDM4EACHEATMALDH1A1MAPT
SCHEMBL12468037 0.84 ACHE (0.47) KDM4EACHEKMT2AMEN1HTT
SCHEMBL23377916 0.84 ACHE (0.51) KDM4EACHELMNAKMT2AMEN1
SCHEMBL3344245 0.84 ACHE (0.61) KDM4EACHEATMLMNAKMT2A
SCHEMBL3051502 0.83 KMT2A (0.49) KDM4EALDH1A1MAPTLMNAMAPK1
SCHEMBL4631795 0.83 POLB (0.54) ACHEATMALDH1A1MAPTSMN1; SMN2
SCHEMBL2554004 0.83 POLB (0.54) ACHEATMALDH1A1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL28556316 0.83 ACHE (0.50) KDM4EACHELMNAKMT2AMEN1

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-20100152219-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTRAZENECA R&D (SE) 2010-06-17 US disclosed
EP-1686999-B1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTRAZENECA AB (SE) 2009-07-01 EP 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-20100152219-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES LTK, ERBB2, ERBB3 KDM4E 2939/4885ACHE 4854/4885ATM 885/4885

“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.