SCHEMBL22336544

SCHEMBL22336544

OCCN1CCN(Cc2ccc(-c3cnc4[nH]cc(-c5cccc(Cl)c5)c4c3)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K11 Q16584 7/20 1.00
▸ MAP3K9 P80192 2/20 1.00
▸ TNIK Q9UKE5 14/20 0.69
▸ MAP4K1 Q92918 1/20 0.59
▸ IKBKB O14920 2/20 0.58
▸ CHUK O15111 2/20 0.58
▸ ABL1 P00519 2/20 0.58
▸ INSR P06213 2/20 0.58
▸ CDK2 P24941 2/20 0.58
▸ FLT3 P36888 2/20 0.58
▸ SGK1 O00141 1/20 0.58
▸ AURKA O14965 1/20 0.58
▸ PRKAB2 O43741 1/20 0.58
▸ ROCK2 O75116 1/20 0.58
▸ NTRK1 P04629 1/20 0.58
▸ LCK P06239 1/20 0.58
▸ CDK1 P06493 1/20 0.58
▸ IGF1R P08069 1/20 0.58
▸ MET P08581 1/20 0.58
▸ CYP3A4 P08684 1/20 0.58

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
SCHEMBL22971583 0.91 MAP3K11 (0.83) MAP3K11MAP3K9TNIKMAP4K1IKBKB
SCHEMBL22336562 0.90 MAP3K11 (0.82) MAP3K11MAP3K9TNIKMAP4K1IKBKB
SCHEMBL22336543 0.88 MAP3K11 (0.79) MAP3K11MAP3K9TNIKMAP4K1IKBKB
SCHEMBL22336737 0.87 MAP3K11 (0.78) MAP3K11MAP3K9TNIKMAP4K1IKBKB
SCHEMBL24535333 0.86 MAP3K11 (0.75) MAP3K11MAP3K9TNIKMAP4K1IKBKB
SCHEMBL24535330 0.86 MAP3K11 (0.75) MAP3K11MAP3K9TNIKMAP4K1IKBKB
SCHEMBL24535484 0.86 MAP3K11 (0.75) MAP3K11MAP3K9TNIKMAP4K1IKBKB
SCHEMBL22971655 0.85 MAP3K11 (0.75) MAP3K11MAP3K9TNIKMAP4K1SGK1
SCHEMBL25083208 0.85 MAP3K11 (0.73) MAP3K11MAP3K9TNIKMAP4K1SGK1
SCHEMBL24535576 0.84 MAP3K11 (0.72) MAP3K11MAP3K9TNIKMAP4K1IKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230063768-A1 IMMUNOPHILIN BINDING AGENTS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-03-02 — — US disclosed
US-20220193242-A1 IMMUNOPHILIN-DEPENDENT INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-06-23 — — US disclosed
US-20210040091-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR SUPPRESSING TOXIC ENDOPLASMIC RETICULUM STRESS UNITED STATES GOVERNMENT 2021-02-11 — — US disclosed
WO-2020163598-A1 IMMUNOPHILIN-DEPENDENT INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-08-13 — — WO disclosed
WO-2020163594-A1 IMMUNOPHILIN BINDING AGENTS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-08-13 — — 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 (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-20220193242-A1 IMMUNOPHILIN-DEPENDENT INHIBITORS AND USES THEREOF CD74, CD2BP2, SERPINB1 MAP3K11 4347/4885MAP3K9 3908/4885TNIK 824/4885
US-20210040091-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR SUPPRESSING TOXIC ENDOPLASMIC RETICULUM STRESS HSPA5, ATP2A1, DNAJC10 MAP3K11 3182/4885MAP3K9 3319/4885TNIK 2690/4885
US-20230063768-A1 IMMUNOPHILIN BINDING AGENTS AND USES THEREOF PMP22, MAG, FABP7 MAP3K11 4728/4885MAP3K9 4650/4885TNIK 2864/4885

“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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