SCHEMBL18469836

SCHEMBL18469836

CCN(C)CCCCNC(=O)CCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]1SCC2NC(=O)NC21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.59
▸ PRSS1 P07477 1/20 0.59
▸ PRSS2 P07478 1/20 0.59
▸ PRSS3 P35030 1/20 0.59
▸ TPSAB1 Q15661 1/20 0.59
▸ TDP1 Q9NUW8 2/20 0.57
▸ FOLH1 Q04609 4/20 0.56
▸ PKM P14618 2/20 0.54
▸ PLCD1 P51178 1/20 0.52
▸ HSP90AB1 P08238 1/20 0.51
▸ BTK Q06187 1/20 0.51
▸ EGFR P00533 1/20 0.49
▸ ITK Q08881 1/20 0.49
▸ CA12 O43570 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ CNR1 P21554 3/20 0.49
▸ CNR2 P34972 1/20 0.49
▸ CAPN1 P07384 1/20 0.49

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
SCHEMBL22420154 1.00 F2 (0.59) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL19735573 1.00 F2 (0.59) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL19176655 1.00 F2 (0.59) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL19735730 0.94 F2 (0.59) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL18737415 0.92 TDP1 (0.60) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL21443600 0.92 TDP1 (0.60) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL19069181 0.92 TDP1 (0.60) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL12435801 0.92 TDP1 (0.60) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL19735728 0.91 TDP1 (0.57) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL16123163 0.89 F2 (0.65) F2PRSS1PRSS2PRSS3TPSAB1

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-20220332687-A1 HETEROARYL COMPOUNDS AND USES THEREOF SANOFI (FR) 2022-10-20 — — US disclosed
US-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2022-06-07 — — US disclosed
US-10828300-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors CELGENE CAR LLC (BM) 2020-11-10 — — US disclosed
US-20190117650-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-04-25 — — US disclosed
US-9987276-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors CELGENE CAR LLC (BM) 2018-06-05 — — US disclosed
US-9561228-B2 ERK inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2017-02-07 — — 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 (4 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-20220332687-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 F2 625/4885PRSS1 2473/4885PRSS2 1881/4885
US-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK F2 3927/4885PRSS1 1895/4885PRSS2 1873/4885
US-10828300-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors ABL1, DCK, ERBB2 F2 4461/4885PRSS1 2351/4885PRSS2 2758/4885
US-20190117650-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 F2 625/4885PRSS1 2473/4885PRSS2 1881/4885

“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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