SCHEMBL22060150

SCHEMBL22060150

COc1ccc(-n2nc(NCc3cccc(Cl)c3)nc2NC(=O)c2ccccc2C)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDKN1A P38936 1/20 0.49
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
FYN P06241 1/20 0.42
APEX1 P27695 1/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
CYP2C9 P11712 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SCD O00767 1/20 0.41
THRB P10828 1/20 0.41
POLB P06746 1/20 0.41
CD38 P28907 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
SCHEMBL22060151 0.90 ABCB1 (0.44) CDKN1APOLBCD38
SCHEMBL22060181 0.85 CDKN1A (0.44) CDKN1ANPC1RAB9AMEN1KMT2A
SCHEMBL22060741 0.85 CDKN1A (0.52) CDKN1ANPC1RAB9AMEN1KMT2A
SCHEMBL22060180 0.84 POLB (0.52) CDKN1ANPC1RAB9AMEN1KMT2A
SCHEMBL22060178 0.83 CDKN1A (0.49) CDKN1ANPC1RAB9AALDH1A1MAPT
SCHEMBL22060684 0.81 MAPK1 (0.54) CDKN1AMEN1KMT2AALDH1A1MAPT
SCHEMBL22060133 0.80 NR3C1 (0.48) CDKN1ANPC1RAB9ALMNACYP2C9
SCHEMBL22060343 0.80 KDR (0.45) CDKN1AMEN1KMT2AALDH1A1MAPT
SCHEMBL22060137 0.79 MAPK1 (0.54) CDKN1ANPC1RAB9AMEN1KMT2A
SCHEMBL22060182 0.78 POLB (0.49) CDKN1ANPC1RAB9AMEN1KMT2A

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 3 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-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 (3 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 CDKN1A 7/4885NPC1 3769/4885RAB9A 2007/4885
US-20200172497-A1 ASYMMETRIC TRIAZOLE BENZAMIDE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME ATG7, PINK1, ADRM1 CDKN1A 594/4885NPC1 1820/4885RAB9A 1771/4885
US-10889553-B2 Asymmetric triazole benzamide derivatives and the compositions and methods of treatment regarding the same ATG7, PINK1, ADRM1 CDKN1A 594/4885NPC1 1820/4885RAB9A 1771/4885

“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.