SCHEMBL21848367

SCHEMBL21848367

O=[N+]([O-])c1ccc(N2CCC(O)(C(F)(F)F)CC2)cn1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.60
POLB P06746 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.48
RAB9A P51151 1/20 0.48
CHRNB2 P17787 3/20 0.46
CHRNA4 P43681 3/20 0.46
CHRNB4 P30926 2/20 0.46
CHRNA3 P32297 2/20 0.46
MLYCD O95822 1/20 0.38
TGM2 P21980 2/20 0.36
PIK3CA P42336 2/20 0.35
MTOR P42345 2/20 0.35
LRRK2 Q5S007 1/20 0.35
LCAT P04180 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
SCHEMBL612209 0.83 MAPT (0.65) MAPTPOLBSMN1; SMN2RAB9ACHRNB2
SCHEMBL17054917 0.82 MAPT (0.68) MAPTPOLBSMN1; SMN2RAB9ACHRNB2
SCHEMBL18053948 0.81 MAPT (0.70) MAPTPOLBSMN1; SMN2RAB9ACHRNB2
SCHEMBL21245532 0.81 MAPT (0.62) MAPTPOLBSMN1; SMN2RAB9ACHRNB2
SCHEMBL31303379 0.81 MAPT (0.62) MAPTPOLBSMN1; SMN2RAB9ACHRNB2
SCHEMBL17054792 0.80 MAPT (0.68) MAPTPOLBSMN1; SMN2RAB9ACHRNB2
SCHEMBL23089248 0.80 MAPT (0.60) MAPTPOLBSMN1; SMN2RAB9ACHRNB2
SCHEMBL18053939 0.79 POLB (0.68) MAPTPOLBSMN1; SMN2RAB9ACHRNB2
SCHEMBL31607933 0.79 POLB (0.68) MAPTPOLBSMN1; SMN2RAB9ACHRNB2
SCHEMBL25225534 0.79 MAPT (0.59) MAPTPOLBSMN1; SMN2RAB9ACHRNB2

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
EP-3640247-B1 SYK INHIBITOR AND USE METHOD THEREFOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2022-01-12 EP disclosed
US-11091460-B2 Syk inhibitor and use method therefor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2021-08-17 US disclosed
CN-110678461-B Syk inhibitors and methods of use thereof 正大天晴药业集团股份有限公司 2021-08-10 CN disclosed
US-20200199101-A1 SYK INHIBITOR AND USE METHOD THEREFOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-06-25 US disclosed
EP-3640247-A1 SYK INHIBITOR AND USE METHOD THEREFOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2020-04-22 EP disclosed
CN-110678461-A Syk inhibitors and methods of use thereof 正大天晴药业集团股份有限公司 2020-01-10 CN 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 (2 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-11091460-B2 Syk inhibitor and use method therefor SYK, BTK, LCK MAPT 4018/4885POLB 3381/4885SMN1; SMN2 4795/4885
US-20200199101-A1 SYK INHIBITOR AND USE METHOD THEREFOR SYK, BTK, LCK MAPT 4018/4885POLB 3381/4885SMN1; SMN2 4795/4885

“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.