SCHEMBL22357741

SCHEMBL22357741

COCCc1nn(C(C)C)c2cc(C(C)C)ccc12

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 1/20 0.36
▸ CASR P41180 5/20 0.36
▸ BRD4 O60885 1/20 0.34
▸ CMKLR1 Q99788 1/20 0.34
▸ NLRP3 Q96P20 1/20 0.33
▸ SSTR5 P35346 1/20 0.33
▸ REN P00797 2/20 0.32
▸ SYK P43405 1/20 0.32
▸ MAPK8 P45983 1/20 0.32
▸ MAPK9 P45984 1/20 0.32
▸ MAPK10 P53779 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ HTR4 Q13639 4/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ POLB P06746 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
SCHEMBL20116951 0.86 CMKLR1 (0.35) CASRCMKLR1NLRP3SSTR5POLB
SCHEMBL20116946 0.85 MPO (0.37) MPONLRP3SSTR5SYKMAPK8
SCHEMBL22156297 0.73 GRM4 (0.43) CASRCMKLR1MAPK8MAPK9
SCHEMBL26137621 0.73 KIF11 (0.34) CASRCMKLR1NLRP3L3MBTL1POLB
SCHEMBL27701252 0.70 NLRP3 (0.39) CMKLR1NLRP3SSTR5POLB
SCHEMBL20117051 0.70 SYK (0.36) NLRP3SSTR5SYKPOLB
SCHEMBL23248568 0.69 SYK (0.36) BRD4SYK
SCHEMBL22357745 0.69 CASR (0.34) CASRCMKLR1
SCHEMBL28018803 0.69 KDM4E (0.41) NLRP3SSTR5POLB
SCHEMBL20117058 0.68 HTR2A (0.37) NLRP3SSTR5MAPK8POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 — — US disclosed
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 — — US disclosed
US-20200262828-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2020-08-20 — — 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 (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-11873298-B2 Compounds and uses thereof NLN, ACHE, CLN6 MPO 212/4885CASR 3724/4885BRD4 1356/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 MPO 212/4885CASR 3724/4885BRD4 1356/4885

“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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