SCHEMBL3829751

SCHEMBL3829751

Cc1onc(-c2ccc(N(C)C)cc2)c1C(N)=O

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.68
MEN1 O00255 1/20 0.68
GAA P10253 1/20 0.68
GPBAR1 Q8TDU6 10/20 0.58
TSHR P16473 2/20 0.54
HSD17B10 Q99714 1/20 0.51
GFER P55789 1/20 0.50
POLB P06746 1/20 0.48
GHSR Q92847 2/20 0.46

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
SCHEMBL4718673 0.82 KMT2A (0.72) KMT2AMEN1GAAGPBAR1TSHR
SCHEMBL903110 0.81 KMT2A (1.00) KMT2AMEN1GAATSHRHSD17B10
Hydrochloric Acid SCHEMBL30684627 0.81 KMT2A (0.70) KMT2AMEN1GAAGPBAR1TSHR
Hydrochloric Acid SCHEMBL30684542 0.80 KMT2A (0.97) KMT2AMEN1GAATSHRHSD17B10
Hydrochloric Acid SCHEMBL30684473 0.80 KMT2A (0.97) KMT2AMEN1GAATSHRHSD17B10
SCHEMBL7558640 0.79 MEN1 (0.68) KMT2AMEN1GAAGPBAR1TSHR
SCHEMBL19035 0.78 KMT2A (0.67) KMT2AMEN1GAAGPBAR1TSHR
SCHEMBL3827327 0.78 KMT2A (0.67) KMT2AMEN1GAAGPBAR1TSHR
SCHEMBL3824854 0.78 MEN1 (0.67) KMT2AMEN1GAAGPBAR1TSHR
SCHEMBL3828988 0.73 ALDH1A1 (0.43) GPBAR1GFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2096111-A1 PYRAZOLES AND USE THEREOF AS DRUGS Japan Tobacco Inc. (JP) 2009-09-02 EP claimed
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF JAPAN TOBACCO, INC. (JP) 2009-02-05 US claimed
EP-2096111-A1 PYRAZOLES AND USE THEREOF AS DRUGS Japan Tobacco Inc. (JP) 2009-09-02 EP disclosed
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF JAPAN TOBACCO, INC. (JP) 2009-02-05 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-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF PYGL, GYS2, G6PC1 KMT2A 3325/4885MEN1 3728/4885GAA 81/4885

“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.