SCHEMBL21887220

SCHEMBL21887220

CC(C)(C)N1CCC2(CC1)c1ncccc1C[C@H]2N

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 14/20 0.46
KCNH2 Q12809 3/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
OPRM1 P35372 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
KDM1A O60341 1/20 0.32
OPRD1 P41143 1/20 0.31

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
SCHEMBL21845236 0.86 PTPN11 (0.49) PTPN11KCNH2CHRM2CHRM1
SCHEMBL22393543 0.84 PTPN11 (0.37) PTPN11KCNH2GRIN2DGRIN3BCHRM2
SCHEMBL23660760 0.83 PTPN11 (0.44) PTPN11KCNH2KDM1A
SCHEMBL21887296 0.82 GRIN2D (0.37) PTPN11KCNH2GRIN2DGRIN3BCHRM2
SCHEMBL24089033 0.82 GRIN2D (0.37) PTPN11KCNH2GRIN2DGRIN3BCHRM2
SCHEMBL24088870 0.81 KCNH2 (0.41) PTPN11KCNH2GRIN2DGRIN3BCHRM2
SCHEMBL21887245 0.81 PTPN11 (0.46) PTPN11KCNH2
SCHEMBL21887293 0.81 KCNH2 (0.41) PTPN11KCNH2GRIN2DGRIN3BCHRM2
SCHEMBL24089048 0.79 PTPN11 (0.34) PTPN11
SCHEMBL21887223 0.77 GRIN2D (0.49) PTPN11KCNH2GRIN2DGRIN3BCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167134-A1 FUSED TRICYCLIC RING DERIVATIVES AS SRC HOMOLOGY-2 PHOSPHATE INHIBITORS NIKANG THERAPEUTICS, INC. 2023-06-01 US disclosed
US-20230167134-A1 FUSED TRICYCLIC RING DERIVATIVES AS SRC HOMOLOGY-2 PHOSPHATE INHIBITORS NIKANG THERAPEUTICS, INC. 2023-06-01 US disclosed
WO-2022007869-A1 PYRIDINE OR PYRIMIDINE DERIVATIVE AND PREPARATION METHOD THEREFOR AND USE THEREOF 浙江海正药业股份有限公司 2022-01-13 WO disclosed
US-20210380604-A1 TRI-SUBSTITUTED HETEROARYL DERIVATIVES AS SRC HOMOLOGY-2 PHOSPHATE INHIBITORS NIKANG THERAPEUTICS, INC. 2021-12-09 US disclosed
WO-2021143823-A1 PYRIDINE OR PYRIMIDINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 浙江海正药业股份有限公司 2021-07-22 WO disclosed
US-20210188876-A1 FUSED TRICYCLIC RING DERIVATIVES AS SRC HOMOLOGY-2 PHOSPHATE INHIBITORS NIKANG THERAPEUTICS, INC. 2021-06-24 US disclosed
US-11034705-B2 Fused tricyclic ring derivatives as Src homology-2 phosphate inhibitors NIKANG THERAPEUTICS, INC. (US) 2021-06-15 US disclosed
US-20210040122-A1 FUSED TRICYCLIC RING DERIVATIVES AS SRC HOMOLOGY-2 PHOSPHATE INHIBITORS NIKANG THERAPEUTICS, INC. 2021-02-11 US disclosed
US-20200115389-A1 FUSED TRICYCLIC RING DERIVATIVES AS SRC HOMOLOGY-2 PHOSPHATASE INHIBITORS NIKANG THERAPEUTICS, INC. 2020-04-16 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 (6 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-20230167134-A1 FUSED TRICYCLIC RING DERIVATIVES AS SRC HOMOLOGY-2 PHOSPHATE INHIBITORS SRC, PTPRCAP, PTPRC PTPN11 32/4885KCNH2 4269/4885GRIN2D 3730/4885
US-11034705-B2 Fused tricyclic ring derivatives as Src homology-2 phosphate inhibitors SRC, PTPRCAP, PTPRC PTPN11 32/4885KCNH2 4269/4885GRIN2D 3730/4885
US-20200115389-A1 FUSED TRICYCLIC RING DERIVATIVES AS SRC HOMOLOGY-2 PHOSPHATASE INHIBITORS SRC, PTPRCAP, PTPRC PTPN11 27/4885KCNH2 4293/4885GRIN2D 3602/4885
US-20210380604-A1 TRI-SUBSTITUTED HETEROARYL DERIVATIVES AS SRC HOMOLOGY-2 PHOSPHATE INHIBITORS SRC, PTPRCAP, PTPN2 PTPN11 29/4885KCNH2 4546/4885GRIN2D 3510/4885
US-20210188876-A1 FUSED TRICYCLIC RING DERIVATIVES AS SRC HOMOLOGY-2 PHOSPHATE INHIBITORS SRC, PTPRCAP, PTPRC PTPN11 32/4885KCNH2 4269/4885GRIN2D 3730/4885
US-20210040122-A1 FUSED TRICYCLIC RING DERIVATIVES AS SRC HOMOLOGY-2 PHOSPHATE INHIBITORS SRC, PTPRCAP, PTPRC PTPN11 32/4885KCNH2 4269/4885GRIN2D 3730/4885

“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.