SCHEMBL22060135

SCHEMBL22060135

Cc1ccccc1C(=O)Nc1nc(NC(=O)c2ccccc2C)n(-c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.56
CDKN1A P38936 1/20 0.50
CRACR2A Q9BSW2 2/20 0.48
TP53 P04637 2/20 0.48
KDM4E B2RXH2 2/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
HIF1A Q16665 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
RXFP1 Q9HBX9 2/20 0.44
NR3C1 P04150 1/20 0.43
PTGS1 P23219 1/20 0.43
TYK2 P29597 1/20 0.42
SORT1 Q99523 1/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL22060147 0.94 MAPK1 (0.56) MAPK1CDKN1ACRACR2ATP53KDM4E
SCHEMBL22060729 0.91 MAPK1 (0.54) MAPK1CDKN1ATP53KDM4ELMNA
SCHEMBL22060382 0.91 MAPK1 (0.47) MAPK1CDKN1ACRACR2ATP53KDM4E
SCHEMBL22060728 0.89 MAPK1 (0.47) MAPK1CDKN1ACRACR2ATP53KDM4E
SCHEMBL22060189 0.89 MAPK1 (0.47) MAPK1CDKN1ACRACR2ATP53KDM4E
SCHEMBL20110241 0.87 MAPK1 (0.56) MAPK1CDKN1ACRACR2ATP53KDM4E
SCHEMBL22060718 0.87 MAPK1 (0.45) MAPK1CDKN1ACRACR2ATP53KDM4E
SCHEMBL22060339 0.87 MAPK1 (0.45) MAPK1CDKN1ACRACR2ATP53KDM4E
SCHEMBL22060130 0.87 MAPK1 (0.59) MAPK1CDKN1ACRACR2ATP53KDM4E
SCHEMBL19668480 0.87 MAPK1 (0.69) MAPK1CDKN1ATP53KDM4ELMNA

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 MAPK1 723/4885CDKN1A 7/4885CRACR2A 2846/4885
US-20200172497-A1 ASYMMETRIC TRIAZOLE BENZAMIDE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME ATG7, PINK1, ADRM1 MAPK1 2259/4885CDKN1A 594/4885CRACR2A 3808/4885
US-20210230126-A1 ASYMMETRIC TRIAZOLE BENZAMIDE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME ATG7, PINK1, ADRM1 MAPK1 2259/4885CDKN1A 594/4885CRACR2A 3808/4885
US-10889553-B2 Asymmetric triazole benzamide derivatives and the compositions and methods of treatment regarding the same ATG7, PINK1, ADRM1 MAPK1 2259/4885CDKN1A 594/4885CRACR2A 3808/4885

“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.