SCHEMBL22252589

SCHEMBL22252589

CC(C)c1ccn(C[C@@H]2CCOC2)n1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 2/20 0.38
▸ HTR4 Q13639 8/20 0.37
▸ TLR7 Q9NYK1 4/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ KCNH2 Q12809 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ GRIN1 Q05586 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35
▸ TLR8 Q9NR97 2/20 0.35
▸ TLR9 Q9NR96 1/20 0.35
▸ NAMPT P43490 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ SCD O00767 1/20 0.33
▸ PIK3CA P42336 1/20 0.32

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
SCHEMBL22252592 1.00 IRAK4 (0.38) IRAK4HTR4TLR7CYP11B2KCNH2
SCHEMBL22252587 1.00 IRAK4 (0.38) IRAK4HTR4TLR7CYP11B2KCNH2
SCHEMBL22252588 0.91 HTR4 (0.40) HTR4KCNH2CNR2
SCHEMBL23194296 0.83 MAPT (0.38) HTR4TLR7KCNH2TLR8TLR9
SCHEMBL11914063 0.79 CHRM2 (0.34) —
SCHEMBL25617367 0.74 KDM4E (0.40) CYP1A2CYP2C9CYP2C19
SCHEMBL25859573 0.74 KDM4E (0.40) CYP1A2CYP2C9CYP2C19
SCHEMBL17239438 0.73 NPC1 (0.44) TLR7TLR8NAMPTCNR1CNR2
SCHEMBL20696927 0.72 SCD (0.42) IRAK4HTR4TLR7CYP11B2KCNH2
SCHEMBL20696929 0.72 SCD (0.42) IRAK4HTR4TLR7CYP11B2KCNH2

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
US-20230227470-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER VANDERBILT UNIVERSITY 2023-07-20 — — US disclosed
US-20230227470-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER VANDERBILT UNIVERSITY 2023-07-20 — — US disclosed
WO-2023099624-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-06-08 — — WO disclosed
WO-2023099612-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-06-08 — — WO disclosed
US-11174264-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2021-11-16 — — US disclosed
US-20200231594-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-07-23 — — 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-20230227470-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER KRAS, NRAS, TP53 IRAK4 2024/4885HTR4 4008/4885TLR7 2397/4885
US-11174264-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 IRAK4 30/4885HTR4 3724/4885TLR7 1174/4885
US-20200231594-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 IRAK4 30/4885HTR4 3724/4885TLR7 1174/4885

“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.

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