SCHEMBL22060140

SCHEMBL22060140

Cc1ccccc1C(=O)Nc1nc(NC(=O)c2ccccc2C)n(-c2ccccc2F)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.47
KMT2A Q03164 4/20 0.45
CRACR2A Q9BSW2 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
HPGD P15428 3/20 0.43
CDKN1A P38936 1/20 0.42
TYK2 P29597 1/20 0.42
WNT3A P56704 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RIPK1 Q13546 2/20 0.41
ALDH1A1 P00352 5/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
HTT P42858 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
POLB P06746 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
SCHEMBL22060735 0.89 KMT2A (0.48) MAPK1KMT2ACRACR2ARXFP1CDKN1A
SCHEMBL20110231 0.86 MAPK1 (0.60) MAPK1KMT2ACDKN1AALDH1A1NPC1
SCHEMBL22060693 0.86 MAPK1 (0.47) MAPK1KMT2ARXFP1HPGDCDKN1A
SCHEMBL20110241 0.83 MAPK1 (0.56) MAPK1KMT2ACRACR2ARXFP1CDKN1A
SCHEMBL22060727 0.83 MAPK1 (0.57) MAPK1KMT2AHPGDCDKN1AALDH1A1
SCHEMBL22060131 0.83 MAPK1 (0.50) MAPK1KMT2ACRACR2ARXFP1HPGD
SCHEMBL19668480 0.83 MAPK1 (0.69) MAPK1KMT2ARXFP1HPGDCDKN1A
SCHEMBL22060130 0.81 MAPK1 (0.59) MAPK1KMT2ACRACR2ARXFP1HPGD
SCHEMBL22060386 0.81 KMT2A (0.66) MAPK1KMT2AHPGDCDKN1ARIPK1
SCHEMBL20110229 0.80 MAPK1 (0.57) MAPK1KMT2ACRACR2ARXFP1HPGD

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 723/4885KMT2A 996/4885CRACR2A 2846/4885
US-20200172497-A1 ASYMMETRIC TRIAZOLE BENZAMIDE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME ATG7, PINK1, ADRM1 MAPK1 2259/4885KMT2A 795/4885CRACR2A 3808/4885
US-20210230126-A1 ASYMMETRIC TRIAZOLE BENZAMIDE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME ATG7, PINK1, ADRM1 MAPK1 2259/4885KMT2A 795/4885CRACR2A 3808/4885
US-10889553-B2 Asymmetric triazole benzamide derivatives and the compositions and methods of treatment regarding the same ATG7, PINK1, ADRM1 MAPK1 2259/4885KMT2A 795/4885CRACR2A 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.