SCHEMBL22060189

SCHEMBL22060189

Cc1ccccc1C(=O)Nc1nc(NCc2ccccc2)nn1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.47
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HIF1A Q16665 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CRACR2A Q9BSW2 1/20 0.44
KDR P35968 3/20 0.43
TP53 P04637 2/20 0.43
NR3C1 P04150 3/20 0.42
CDKN1A P38936 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
SMO Q99835 1/20 0.42
MAPT P10636 2/20 0.41
CTNNB1 P35222 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
SCHEMBL22060149 0.92 ALDH1A1 (0.44) MAPK1KDM4EMEN1ALDH1A1LMNA
SCHEMBL22060684 0.90 MAPK1 (0.54) MAPK1KDM4EMEN1ALDH1A1LMNA
SCHEMBL22060135 0.89 MAPK1 (0.56) MAPK1KDM4EMEN1ALDH1A1LMNA
SCHEMBL22060343 0.88 KDR (0.45) MAPK1KDM4EMEN1ALDH1A1LMNA
SCHEMBL22060180 0.87 POLB (0.52) MAPK1KDM4EMEN1ALDH1A1LMNA
SCHEMBL22060728 0.85 MAPK1 (0.47) MAPK1KDM4EMEN1ALDH1A1LMNA
SCHEMBL22060147 0.83 MAPK1 (0.56) MAPK1KDM4EMEN1ALDH1A1LMNA
SCHEMBL22060718 0.83 MAPK1 (0.45) MAPK1KDM4EMEN1ALDH1A1LMNA
SCHEMBL22060339 0.83 MAPK1 (0.45) MAPK1KDM4EMEN1ALDH1A1LMNA
SCHEMBL22060706 0.81 MAPK1 (0.51) MAPK1KDM4EMEN1ALDH1A1LMNA

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 723/4885KDM4E 1308/4885MEN1 1765/4885
US-20200172497-A1 ASYMMETRIC TRIAZOLE BENZAMIDE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME ATG7, PINK1, ADRM1 MAPK1 2259/4885KDM4E 2376/4885MEN1 4142/4885
US-20210230126-A1 ASYMMETRIC TRIAZOLE BENZAMIDE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME ATG7, PINK1, ADRM1 MAPK1 2259/4885KDM4E 2376/4885MEN1 4142/4885
US-10889553-B2 Asymmetric triazole benzamide derivatives and the compositions and methods of treatment regarding the same ATG7, PINK1, ADRM1 MAPK1 2259/4885KDM4E 2376/4885MEN1 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.