SCHEMBL21678552

SCHEMBL21678552

O=S(=O)(c1ccccc1)n1cc(C2CCCC2)c2c(Cl)ncnc21

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 10/20 0.42
FFAR2 O15552 3/20 0.36
SRC P12931 1/20 0.36
ACHE P22303 1/20 0.35
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
DRD2 P14416 1/20 0.34
BRD4 O60885 1/20 0.34

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
SCHEMBL30294963 0.84 HTR6 (0.39) HTR6ACHEALDH1A1
SCHEMBL21678686 0.83 HTR6 (0.40) HTR6FFAR2ACHEALDH1A1BRD4
SCHEMBL21678658 0.83 SRC (0.35) HTR6FFAR2SRCCYP2C19ALDH1A1
SCHEMBL9967010 0.80 SRC (0.42) HTR6SRCCYP2C19ALDH1A1BRD4
SCHEMBL21678620 0.78 HTR6 (0.44) HTR6FFAR2SRCALDH1A1
SCHEMBL1585008 0.78 BRD4 (0.43) HTR6SRCCYP2C19ALDH1A1BRD4
SCHEMBL16963611 0.78 MEN1 (0.42) HTR6SRCCYP2C19ALDH1A1BRD4
SCHEMBL2253631 0.78 SRC (0.40) HTR6SRCCYP2C19ALDH1A1DRD2
SCHEMBL2600002 0.77 FFAR2 (0.43) HTR6FFAR2SRCACHECYP2C19
SCHEMBL21178866 0.76 KDM4E (0.40) HTR6SRCCYP2C19ALDH1A1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260035373-A1 PYRROLOPYRIMIDINE ITK INHIBITORS ACLARIS THERAPEUTICS INC (US) 2026-02-05 US disclosed
US-12297203-B2 Pyrrolopyrimidine ITK inhibitors ACLARIS THERAPEUTICS, INC. (US) 2025-05-13 US disclosed
CN-119080779-A Pyrrolopyrimidine ITK inhibitors 阿克拉瑞斯治疗股份有限公司 2024-12-06 CN disclosed
CN-112823005-B Pyrrolopyrimidine ITK inhibitors 阿克拉瑞斯治疗股份有限公司 2024-08-20 CN disclosed
US-20240132505-A1 PYRROLOPYRIMIDINE ITK INHIBITORS ACLARIS THERAPEUTICS, INC. 2024-04-25 US disclosed
US-11820775-B2 Pyrrolopyrimidine ITK inhibitors ACLARIS THERAPEUTICS, INC. (US) 2023-11-21 US disclosed
US-11820775-B2 Pyrrolopyrimidine ITK inhibitors ACLARIS THERAPEUTICS, INC. (US) 2023-11-21 US disclosed
US-11820775-B2 Pyrrolopyrimidine ITK inhibitors ACLARIS THERAPEUTICS, INC. (US) 2023-11-21 US disclosed
US-20220348579-A1 PYRROLOPYRIMIDINE ITK INHIBITORS ACLARIS THERAPEUTICS, INC. 2022-11-03 US disclosed
US-11021482-B2 Pyrrolopyrimidine ITK inhibitors Adaris Therapeutics, Inc. (US) 2021-06-01 US disclosed
US-11021482-B2 Pyrrolopyrimidine ITK inhibitors Adaris Therapeutics, Inc. (US) 2021-06-01 US disclosed
CN-112823005-A Pyrrolopyrimidine ITK inhibitors 阿克拉瑞斯治疗股份有限公司 2021-05-18 CN disclosed
US-20200048262-A1 PYRROLOPYRIMIDINE ITK INHIBITORS ACLARIS THERAPEUTICS, INC. 2020-02-13 US disclosed
US-20200048262-A1 PYRROLOPYRIMIDINE ITK INHIBITORS ACLARIS THERAPEUTICS, INC. 2020-02-13 US disclosed
WO-2020033955-A1 PYRROLOPYRIMIDINE ITK INHIBITORS ACLARIS THERAPEUTICS, INC. (US) 2020-02-13 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 (7 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-20260035373-A1 PYRROLOPYRIMIDINE ITK INHIBITORS JAK3, JAK1, JAK2 HTR6 739/4885FFAR2 1309/4885SRC 290/4885
US-20200048262-A1 PYRROLOPYRIMIDINE ITK INHIBITORS ITK, PDXK, DMPK HTR6 4511/4885FFAR2 2396/4885SRC 2546/4885
US-20240132505-A1 PYRROLOPYRIMIDINE ITK INHIBITORS ITK, PDXK, DMPK HTR6 4511/4885FFAR2 2396/4885SRC 2546/4885
US-12297203-B2 Pyrrolopyrimidine ITK inhibitors ITK, PDXK, DMPK HTR6 4511/4885FFAR2 2396/4885SRC 2546/4885
US-20220348579-A1 PYRROLOPYRIMIDINE ITK INHIBITORS ITK, PDXK, DMPK HTR6 4511/4885FFAR2 2396/4885SRC 2546/4885
US-11021482-B2 Pyrrolopyrimidine ITK inhibitors ITK, PDXK, DMPK HTR6 4511/4885FFAR2 2396/4885SRC 2546/4885
US-11820775-B2 Pyrrolopyrimidine ITK inhibitors ITK, PDXK, DMPK HTR6 4511/4885FFAR2 2396/4885SRC 2546/4885

“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.