SCHEMBL18017490

SCHEMBL18017490

Cc1ccc(-c2nn(C)cc2C(N)=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 8/20 0.56
CA9 Q16790 8/20 0.56
CA1 P00915 5/20 0.56
CA2 P00918 5/20 0.56
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 2/20 0.44
DUSP3 P51452 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM5B Q9UGL1 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PARP1 P09874 1/20 0.43
AURKA O14965 2/20 0.42
BTK Q06187 2/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL15750734 0.86 CA12 (0.55) CA12CA9CA1CA2KMT2A
SCHEMBL26424817 0.85 CA12 (0.53) CA12CA9CA1CA2ALDH1A1
SCHEMBL18017491 0.85 ALDH1A1 (0.49) CA12CA9CA1CA2SMN1; SMN2
SCHEMBL21409616 0.83 BRAF (0.46) CA12CA9CA1CA2SMN1; SMN2
SCHEMBL6617686 0.81 CA12 (0.60) CA12CA9CA1CA2SMN1; SMN2
SCHEMBL18017492 0.80 CA12 (0.60) CA12CA9SMN1; SMN2ALDH1A1MAPT
SCHEMBL15428638 0.77 DCAF1 (0.54) ALDH1A1MAPTRAB9AMEN1KMT2A
SCHEMBL26405275 0.76 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1RAB9AL3MBTL1NPC1
SCHEMBL15428611 0.75 JAK2 (0.46) ALDH1A1PARP1
SCHEMBL15428593 0.75 CDC7 (0.47) PARP1

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-11840513-B2 Substituted nicotinimide inhibitors of BTK for treating cancer Guangzhou Innocare Pharma Tech Co., Ltd (CN) 2023-12-12 US disclosed
US-20180222897-A1 SUBSTITUTED NICOTINIMIDE INHIBITORS OF BTK AND THEIR PREPARATION AND USE IN THE TREATMENT OF CANCER, INFLAMMATION AND AUTOIMMUNE DISEASE GUANGZHOU INNOCARE PHARMA TECH CO., LTD. (CN) 2018-08-09 US disclosed
US-9951056-B2 Substituted nicotinamide inhibitors of BTK and their preparation and use in the treatment of cancer, inflammation and autoimmune disease BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2018-04-24 US disclosed
US-20160237075-A1 SUBSTITUTED NICOTINIMIDE INHIBITORS OF BTK AND THEIR PREPARATION AND USE IN THE TREATMENT OF CANCER, INFLAMMATION AND AUTOIMMUNE DISEASE GUANGZHOU INNOCARE PHARMA TECH CO., LTD. (CN) 2016-08-18 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-20160237075-A1 SUBSTITUTED NICOTINIMIDE INHIBITORS OF BTK AND THEIR PREPARATION AND USE IN THE TREATMENT OF CANCER, INFLAMMATION AND AUTOIMMUNE DISEASE BTK, SYK, LYN CA12 4323/4885CA9 2826/4885CA1 4009/4885
US-20180222897-A1 SUBSTITUTED NICOTINIMIDE INHIBITORS OF BTK AND THEIR PREPARATION AND USE IN THE TREATMENT OF CANCER, INFLAMMATION AND AUTOIMMUNE DISEASE BTK, SYK, LYN CA12 4323/4885CA9 2826/4885CA1 4009/4885
US-11840513-B2 Substituted nicotinimide inhibitors of BTK for treating cancer BTK, SYK, LYN CA12 4611/4885CA9 3257/4885CA1 4413/4885

“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.