SCHEMBL22060729

SCHEMBL22060729

Cc1ccccc1C(=O)Nc1nc(NC(=O)c2cccnc2)nn1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.54
CDKN1A P38936 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.47
HTT P42858 2/20 0.47
RXFP1 Q9HBX9 1/20 0.46
LMNA P02545 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 2/20 0.46
HIF1A Q16665 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAP3K5 Q99683 1/20 0.45
CSF1R P07333 4/20 0.45
EPHX2 P34913 3/20 0.45
BRAF P15056 2/20 0.45
TSHR P16473 1/20 0.44
KIT P10721 1/20 0.44
KDR P35968 1/20 0.44

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 0.93 MAPK1 (0.56) MAPK1CDKN1ASMN1; SMN2HTTRXFP1
SCHEMBL22060135 0.91 MAPK1 (0.56) MAPK1CDKN1ASMN1; SMN2HTTRXFP1
SCHEMBL22060328 0.91 MAPK1 (0.62) MAPK1CDKN1ASMN1; SMN2HTTLMNA
SCHEMBL22060703 0.90 MAPK1 (0.65) MAPK1CDKN1ASMN1; SMN2HTTLMNA
SCHEMBL22060323 0.89 CDKN1A (0.52) MAPK1CDKN1ASMN1; SMN2HTTLMNA
SCHEMBL22060174 0.88 MAPK1 (0.55) MAPK1CDKN1ASMN1; SMN2HTTLMNA
SCHEMBL22060170 0.84 KMT2A (0.56) MAPK1CDKN1ASMN1; SMN2HTTLMNA
SCHEMBL22060382 0.84 MAPK1 (0.47) MAPK1CDKN1ASMN1; SMN2HTTRXFP1
SCHEMBL22060395 0.83 MAPK1 (0.68) MAPK1CDKN1ASMN1; SMN2HTTLMNA
SCHEMBL20110239 0.83 MAPK1 (0.68) MAPK1CDKN1ASMN1; SMN2HTTLMNA

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 7/4885SMN1; SMN2 2456/4885
US-20200172497-A1 ASYMMETRIC TRIAZOLE BENZAMIDE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME ATG7, PINK1, ADRM1 MAPK1 2259/4885CDKN1A 594/4885SMN1; SMN2 2359/4885
US-20210230126-A1 ASYMMETRIC TRIAZOLE BENZAMIDE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME ATG7, PINK1, ADRM1 MAPK1 2259/4885CDKN1A 594/4885SMN1; SMN2 2359/4885
US-10889553-B2 Asymmetric triazole benzamide derivatives and the compositions and methods of treatment regarding the same ATG7, PINK1, ADRM1 MAPK1 2259/4885CDKN1A 594/4885SMN1; SMN2 2359/4885

“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.