SCHEMBL22357763

SCHEMBL22357763

Cc1c2ccc(C(C)C)cc2nn1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.37
▸ TRPA1 O75762 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ CACNA1C Q13936 1/20 0.36
▸ KDR P35968 7/20 0.36
▸ KIT P10721 6/20 0.36
▸ PDGFRA P16234 6/20 0.36
▸ TMEM97 Q5BJF2 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ KIF11 P52732 1/20 0.35
▸ NPC1 O15118 4/20 0.34
▸ RAB9A P51151 4/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ BTK Q06187 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 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
SCHEMBL15341789 0.86 RAB9A (0.37) LMNATRPA1PTGS1CACNA1CTMEM97
SCHEMBL18713619 0.81 KDR (0.34) KDRKITPDGFRABTKCHRM4
SCHEMBL22358065 0.81 LMNA (0.36) LMNATRPA1PTGS1CACNA1CKDR
SCHEMBL22357765 0.78 ADORA2A (0.35) LMNATRPA1PTGS1CACNA1CKIF11
SCHEMBL12163 0.77 KIT (0.41) LMNAKDRKITPDGFRAALDH1A1
SCHEMBL13106271 0.74 POLB (0.46) LMNAKDRKITPDGFRAKMT2A
SCHEMBL26515852 0.74 PRNP (0.43) KDRKITPDGFRABTKCHRM4
SCHEMBL13106176 0.74 KIT (0.44) KDRKITPDGFRAMEN1KMT2A
SCHEMBL588669 0.74 ALDH1A1 (0.46) LMNAPTGS1KDRKITPDGFRA
SCHEMBL2144329 0.74 PDGFRA (0.44) LMNAKDRKITPDGFRANPC1

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 LMNA 1966/4885TRPA1 469/4885PTGS1 947/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 LMNA 1966/4885TRPA1 469/4885PTGS1 947/4885

“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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