SCHEMBL21701279

SCHEMBL21701279

CS(C)(C)CCOCn1cc(C(=O)C2CC2)c2c(Cl)ccnc21

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ ADK P55263 1/20 0.33
▸ TP53 P04637 2/20 0.32
▸ P2RX7 Q99572 2/20 0.32
▸ PTGDR2 Q9Y5Y4 1/20 0.32
▸ ACVRL1 P37023 1/20 0.31
▸ ELANE P08246 1/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ THRB P10828 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
SCHEMBL31070086 0.87 DGAT1 (0.38) NPSR1MAPTALDH1A1ADKTP53
SCHEMBL21678636 0.87 DGAT1 (0.38) NPSR1MAPTALDH1A1ADKTP53
SCHEMBL21678521 0.83 TP53 (0.38) MAPTTP53P2RX7SMN1; SMN2THRB
SCHEMBL31070094 0.83 TP53 (0.38) MAPTTP53P2RX7SMN1; SMN2THRB
SCHEMBL20744082 0.72 NPC1 (0.39) MAPTADKP2RX7
SCHEMBL30668697 0.72 NPC1 (0.39) MAPTADKP2RX7
SCHEMBL2240537 0.72 DGAT1 (0.38) MAPTALDH1A1ADKP2RX7PTGDR2
SCHEMBL24657094 0.72 KDM4E (0.33) ALDH1A1KMT2A
SCHEMBL21678727 0.71 ADK (0.37) NPSR1MAPTALDH1A1ADKTP53
SCHEMBL21678363 0.70 DGAT1 (0.33) MAPTP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11820775-B2 Pyrrolopyrimidine ITK inhibitors ACLARIS THERAPEUTICS, INC. (US) 2023-11-21 — — US disclosed
US-11021482-B2 Pyrrolopyrimidine ITK inhibitors Adaris Therapeutics, Inc. (US) 2021-06-01 — — US disclosed
US-20200048262-A1 PYRROLOPYRIMIDINE ITK INHIBITORS ACLARIS THERAPEUTICS, INC. 2020-02-13 — — 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-20200048262-A1 PYRROLOPYRIMIDINE ITK INHIBITORS ITK, PDXK, DMPK NPSR1 3803/4885MAPT 3844/4885ALDH1A1 2512/4885
US-11021482-B2 Pyrrolopyrimidine ITK inhibitors ITK, PDXK, DMPK NPSR1 3803/4885MAPT 3844/4885ALDH1A1 2512/4885
US-11820775-B2 Pyrrolopyrimidine ITK inhibitors ITK, PDXK, DMPK NPSR1 3803/4885MAPT 3844/4885ALDH1A1 2512/4885

“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.

Send feedback