SCHEMBL22060735

SCHEMBL22060735

Cc1ccccc1C(=O)Nc1nc(NC(=O)c2ccccc2C)n(-c2ccc(F)cc2F)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
CRACR2A Q9BSW2 1/20 0.47
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CNR1 P21554 2/20 0.41
HTT P42858 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
SCN9A Q15858 1/20 0.40
CDKN1A P38936 1/20 0.40
BLK P51451 1/20 0.40
MAPT P10636 1/20 0.40
NPC1 O15118 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
SCHEMBL22060140 0.89 MAPK1 (0.47) KMT2ACRACR2AMEN1MAPK1SMN1; SMN2
SCHEMBL22060155 0.86 MAPK1 (0.55) KMT2AMEN1MAPK1SMN1; SMN2GAA
SCHEMBL20110241 0.84 MAPK1 (0.56) KMT2ACRACR2AMEN1MAPK1SMN1; SMN2
SCHEMBL22060386 0.83 KMT2A (0.66) KMT2AMEN1MAPK1SMN1; SMN2NPSR1
SCHEMBL22060333 0.82 MAPK1 (0.55) KMT2AMEN1MAPK1SMN1; SMN2NPSR1
SCHEMBL22060131 0.81 MAPK1 (0.50) KMT2ACRACR2AMEN1MAPK1SMN1; SMN2
SCHEMBL20110231 0.80 MAPK1 (0.60) KMT2AMEN1MAPK1SMN1; SMN2NPSR1
SCHEMBL22060693 0.80 MAPK1 (0.47) KMT2AMAPK1GAAL3MBTL1ALDH1A1
SCHEMBL19668480 0.79 MAPK1 (0.69) KMT2AMEN1MAPK1SMN1; SMN2NPSR1
SCHEMBL22060727 0.77 MAPK1 (0.57) KMT2AMEN1MAPK1SMN1; SMN2NPSR1

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
US-20210244712-A1 METHODS FOR TREATING PATIENTS WITH CANCER HAVING DEFECTS IN CYCLIN D REGULATION NYSNOBIO IRELAND DAC (IE) 2021-08-12 US disclosed
US-20210230126-A1 ASYMMETRIC TRIAZOLE BENZAMIDE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME NYSNOBIO IRELAND DAC (IE) 2021-07-29 US disclosed
US-10889553-B2 Asymmetric triazole benzamide derivatives and the compositions and methods of treatment regarding the same NYSNOBIO IRELAND DAC (IE) 2021-01-12 US disclosed
US-20200172497-A1 ASYMMETRIC TRIAZOLE BENZAMIDE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME NYSNOBIO IRELAND DAC (IE) 2020-06-04 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 (4 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-20210244712-A1 METHODS FOR TREATING PATIENTS WITH CANCER HAVING DEFECTS IN CYCLIN D REGULATION TP53, RB1, CDK1 KMT2A 996/4885CRACR2A 2846/4885MEN1 1765/4885
US-20200172497-A1 ASYMMETRIC TRIAZOLE BENZAMIDE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME ATG7, PINK1, ADRM1 KMT2A 795/4885CRACR2A 3808/4885MEN1 4142/4885
US-20210230126-A1 ASYMMETRIC TRIAZOLE BENZAMIDE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME ATG7, PINK1, ADRM1 KMT2A 795/4885CRACR2A 3808/4885MEN1 4142/4885
US-10889553-B2 Asymmetric triazole benzamide derivatives and the compositions and methods of treatment regarding the same ATG7, PINK1, ADRM1 KMT2A 795/4885CRACR2A 3808/4885MEN1 4142/4885

“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.