SCHEMBL17833415

SCHEMBL17833415

C=CC(=O)N[C@H]1CCNC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.45
POLB P06746 2/20 0.41
KCNH2 Q12809 1/20 0.38
TEAD1 P28347 5/20 0.37
KDM1A O60341 1/20 0.37
SMYD3 Q9H7B4 1/20 0.36
MAPK3 P27361 1/20 0.35
PARP1 P09874 1/20 0.34
PBK Q96KB5 1/20 0.34
FPR3 P25089 1/20 0.33
FPR2 P25090 1/20 0.33
SLC6A1 P30531 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRB2 P47870 1/20 0.33
SLC6A12 P48065 1/20 0.33
SLC6A11 P48066 1/20 0.33
SLC6A13 Q9NSD5 1/20 0.33
MAPKAPK2 P49137 1/20 0.33

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
SCHEMBL17833393 1.00 EPHX1 (0.45) EPHX1POLBKCNH2TEAD1KDM1A
SCHEMBL17833392 1.00 EPHX1 (0.45) EPHX1POLBKCNH2TEAD1KDM1A
SCHEMBL20780848 0.89 MAPK1 (0.43) EPHX1MAPK3PARP1PBKSLC6A1
SCHEMBL16095061 0.89 MAPK1 (0.43) EPHX1MAPK3PARP1PBKSLC6A1
SCHEMBL16095413 0.89 MAPK1 (0.43) EPHX1MAPK3PARP1PBKSLC6A1
SCHEMBL10811399 0.88 EPHX1 (0.59) EPHX1POLBTEAD1SMYD3
Hydrochloric Acid SCHEMBL22118549 0.86 EPHX1 (0.57) EPHX1POLBTEAD1SMYD3
SCHEMBL23227292 0.84
SCHEMBL22731911 0.78 EPHX1 (0.42) EPHX1POLBKCNH2KDM1APARP1
SCHEMBL3314984 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11925651-B2 TEAD inhibitors and uses thereof Ikena Oncology, Inc. (US) 2024-03-12 US disclosed
US-20230148061-A1 TEAD INHIBITORS AND USES THEREOF THE EHE FOUNDATION 2023-05-11 US disclosed
US-11458149-B1 TEAD inhibitors and uses thereof Ikena Oncology, Inc. (US) 2022-10-04 US disclosed
CN-114502540-A TEAD inhibitors and uses thereof 医肯纳肿瘤学公司 2022-05-13 CN disclosed
US-20220122691-A1 HtrA Inhibitors and CagA Inhibitors and Use Thereof Psomagen Inc. (US) 2022-04-21 US disclosed
EP-3976192-A1 TEAD INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2022-04-06 EP disclosed
WO-2020243423-A1 TEAD INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2020-12-03 WO disclosed
WO-2016091916-A1 PYRAZOLYLAMINOPURINES AS ITK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2016-06-16 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 (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-20230148061-A1 TEAD INHIBITORS AND USES THEREOF TEAD2, TEAD3, TEAD4 EPHX1 511/4885POLB 2252/4885KCNH2 4316/4885
US-11925651-B2 TEAD inhibitors and uses thereof TEAD2, TEAD3, TEAD4 EPHX1 511/4885POLB 2252/4885KCNH2 4316/4885
US-11458149-B1 TEAD inhibitors and uses thereof TEAD2, TEAD3, TEAD4 EPHX1 511/4885POLB 2252/4885KCNH2 4316/4885
US-20220122691-A1 HtrA Inhibitors and CagA Inhibitors and Use Thereof HTRA1, GIPR, HPN EPHX1 3239/4885POLB 4461/4885KCNH2 4773/4885

“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.