SCHEMBL18283748

SCHEMBL18283748

CSc1nnc(C(N)=O)c(Nc2ccc(C(C)C)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ KIF11 P52732 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ NFKB1 P19838 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ BTK Q06187 2/20 0.38
▸ RET P07949 3/20 0.38
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA7 P43166 2/20 0.37
▸ CCNA2 P20248 1/20 0.36
▸ CDK2 P24941 1/20 0.36

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
SCHEMBL25416754 0.84 PPARG (0.47) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL29557791 0.84 PPARG (0.47) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL23080875 0.83 NPC1 (0.44) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL18283967 0.82 SYK (0.51) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL16764284 0.81 KDR (0.47) RAB9ANPC1MEN1KMT2AL3MBTL1
SCHEMBL18283599 0.79 NPC1 (0.41) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL18284002 0.79 SMN1; SMN2 (0.42) SMN1; SMN2BTKCCNA2CDK2
SCHEMBL28200476 0.76 CA1 (0.40) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL15910647 0.75 SYK (0.58) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL16763697 0.74 BTK (0.60) BTK

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC (US) 2021-03-11 — — US disclosed
US-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC (US) 2021-03-11 — — US disclosed
US-20180305348-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC 2018-10-25 — — US disclosed
EP-3310776-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE Pharmacyclics LLC (US) 2018-04-25 — — EP disclosed
CN-107709315-A The inhibitor of bruton's tyrosine kinase 药品循环有限责任公司 2018-02-16 — — CN disclosed
WO-2016196776-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC. (US) 2016-12-08 — — WO 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 (2 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-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK RAB9A 2129/4885SMN1; SMN2 4365/4885NPC1 4275/4885
US-20180305348-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK RAB9A 2129/4885SMN1; SMN2 4365/4885NPC1 4275/4885

“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.

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