SCHEMBL20097983

SCHEMBL20097983

CC(C)CC(C)(C)c1ccncc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.39
AAK1 Q2M2I8 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP19A1 P11511 3/20 0.33
HDAC8 Q9BY41 1/20 0.33
USP2 O75604 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL12197886 0.81 AAK1 (0.40) KIF11AAK1CYP3A4CYP19A1USP2
SCHEMBL6681969 0.77 TAAR1 (0.54) CYP3A4
SCHEMBL22060303 0.76 CYP19A1 (0.47) KIF11CYP3A4CYP19A1
SCHEMBL3797997 0.75 AAK1 (0.35) KIF11AAK1CYP3A4USP2RAB9A
SCHEMBL8057442 0.75 RAB9A (0.44) KIF11CYP19A1HDAC8USP2RAB9A
SCHEMBL18016868 0.74
SCHEMBL7054972 0.74 SHBG (0.33)
SCHEMBL18016866 0.74 GRIN2D (0.49) CYP19A1
SCHEMBL10358922 0.74 TAAR1 (0.31)
SCHEMBL12197895 0.74 CYP3A4 (0.38) KIF11AAK1CYP3A4CYP19A1USP2

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-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
US-9958576-B2 Near infrared ray absorbent composition, near infrared ray cut filter, manufacturing method of near infrared ray cut filter, solid image pickup element, camera module FUJIFILM CORPORATION (JP) 2018-05-01 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-20200172497-A1 ASYMMETRIC TRIAZOLE BENZAMIDE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME ATG7, PINK1, ADRM1 KIF11 2832/4885AAK1 1886/4885CYP3A4 1419/4885
US-20210230126-A1 ASYMMETRIC TRIAZOLE BENZAMIDE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME ATG7, PINK1, ADRM1 KIF11 2832/4885AAK1 1886/4885CYP3A4 1419/4885
US-10889553-B2 Asymmetric triazole benzamide derivatives and the compositions and methods of treatment regarding the same ATG7, PINK1, ADRM1 KIF11 2832/4885AAK1 1886/4885CYP3A4 1419/4885

“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.