SCHEMBL2408813

SCHEMBL2408813

CCCCOC(=O)N1CCCC(OS(C)(=O)=O)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.40
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 1/20 0.38
CYP1A2 P05177 1/20 0.38
PDE4B Q07343 1/20 0.38
TSHR P16473 1/20 0.37
GPR119 Q8TDV5 2/20 0.36
MMP3 P08254 2/20 0.36
MMP9 P14780 2/20 0.36
MMP13 P45452 2/20 0.36
MMP1 P03956 1/20 0.36
MMP7 P09237 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL31693351 1.00 POLB (0.45) POLBSMN1; SMN2LMNAGAAKMT2A
SCHEMBL31131213 0.92 SMN1; SMN2 (0.47) POLBSMN1; SMN2LMNAGAAKMT2A
SCHEMBL2360585 0.92 SMN1; SMN2 (0.47) POLBSMN1; SMN2LMNAGAAKMT2A
SCHEMBL9051469 0.88 SMN1; SMN2 (0.43) POLBSMN1; SMN2LMNAGAAKMT2A
SCHEMBL10372097 0.88 GAA (0.50) POLBSMN1; SMN2GAAKMT2AMEN1
SCHEMBL4768470 0.86 SMN1; SMN2 (0.48) POLBSMN1; SMN2LMNAGAAKMT2A
SCHEMBL3313643 0.84 SMN1; SMN2 (0.52) POLBSMN1; SMN2LMNAGAAKMT2A
SCHEMBL3656085 0.82 POLB (0.43) POLBSMN1; SMN2LMNAGAAKMT2A
SCHEMBL18173570 0.81 CYP2D6 (0.46) POLBGAAKMT2AMAPTCYP1A2
SCHEMBL30497646 0.81 POLB (0.51) POLBSMN1; SMN2LMNAKMT2AMEN1

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-12544382-B2 2, 4, 6-tri-substituted pyrimidine compound as ATR kinase inhibitor BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2026-02-10 US disclosed
US-20220378799-A1 2, 4, 6-TRI-SUBSTITUTED PYRIMIDINE COMPOUND AS ATR KINASE INHIBITOR BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2022-12-01 US disclosed
US-10280174-B2 Salt of fused pyrimidine compound and crystal thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2019-05-07 US disclosed
US-20180127428-A1 NOVEL SALT OF FUSED PYRIMIDINE COMPOUND AND CRYSTAL THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2018-05-10 US disclosed
US-9908889-B2 Salt of fused pyrimidine compound and crystal thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2018-03-06 US disclosed
US-20170044166-A1 NOVEL SALT OF FUSED PYRIMIDINE COMPOUND AND CRYSTAL THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2017-02-16 US disclosed
WO-2016170545-A1 PROCESS FOR THE PREPARATION OF 1-[(3R)-3-[4-AMINO-3-(4-PHENOXYPHENVL)-1H- PVRAZOLO[3,4-D]PYRINIIDIN-1-Y1]-1-PIPERIDINVL]-2-PROPEN-1-ONE AND ITS POLYMORPHS THEREOF MSN LABORATORIES PRIVATE LIMITED (IN) 2016-10-27 WO disclosed
EP-2539346-A1 HETEROCYCLOALKYL-CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS Boehringer Ingelheim International GmbH (DE) 2013-01-02 EP disclosed
WO-2011104337-A1 HETEROCYCLOALKYL-CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 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 (5 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-20170044166-A1 NOVEL SALT OF FUSED PYRIMIDINE COMPOUND AND CRYSTAL THEREOF BTK, LCK, SYK POLB 3246/4885SMN1; SMN2 4748/4885LMNA 4807/4885
US-20180127428-A1 NOVEL SALT OF FUSED PYRIMIDINE COMPOUND AND CRYSTAL THEREOF BTK, LCK, SYK POLB 3246/4885SMN1; SMN2 4748/4885LMNA 4807/4885
US-12544382-B2 2, 4, 6-tri-substituted pyrimidine compound as ATR kinase inhibitor ATR, CHEK1, CHEK2 POLB 107/4885SMN1; SMN2 1690/4885LMNA 1235/4885
US-20220378799-A1 2, 4, 6-TRI-SUBSTITUTED PYRIMIDINE COMPOUND AS ATR KINASE INHIBITOR ATR, CHEK2, CHEK1 POLB 122/4885SMN1; SMN2 1914/4885LMNA 1773/4885
US-10280174-B2 Salt of fused pyrimidine compound and crystal thereof BTK, LCK, SYK POLB 2851/4885SMN1; SMN2 4669/4885LMNA 4726/4885

“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.