SCHEMBL22896965

SCHEMBL22896965

CNNc1ccnc(Cl)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 2/20 0.35
▸ SYK P43405 1/20 0.33
▸ CYP1A2 P05177 3/20 0.33
▸ CYP3A4 P08684 3/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.32
▸ HRH4 Q9H3N8 1/20 0.31
▸ TGFBR1 P36897 1/20 0.30
▸ ALDH1A1 P00352 2/20 0.30
▸ RPS6KA5 O75582 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ HTR3E A5X5Y0 1/20 0.30
▸ HTR3B O95264 1/20 0.30
▸ HTR3A P46098 1/20 0.30
▸ ROCK1 Q13464 1/20 0.30
▸ HTR3D Q70Z44 1/20 0.30
▸ HTR3C Q8WXA8 1/20 0.30
▸ NUDT1 P36639 1/20 0.30

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
SCHEMBL29909710 0.83 — —
SCHEMBL445950 0.83 — —
SCHEMBL23887607 0.78 SYK (0.42) GRM5SYKHRH4TGFBR1ALDH1A1
SCHEMBL17601584 0.75 LMNA (0.43) GRM5SYKCYP1A2CYP2C19TGFBR1
SCHEMBL1782191 0.74 — —
SCHEMBL31205727 0.74 — —
SCHEMBL1774897 0.73 GAA (0.42) GRM5HRH4
SCHEMBL1519145 0.73 TLR8 (0.42) CYP1A2CYP3A4CYP2C19HRH3HRH4
SCHEMBL20685774 0.72 MAPK14 (0.42) GRM5
SCHEMBL21550282 0.72 ESR1 (0.35) GRM5SYKTGFBR1ALDH1A1

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-11339130-B1 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2022-05-24 — — US disclosed
US-10934261-B2 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2021-03-02 — — US disclosed
US-10894776-B2 — — 2021-01-19 — — 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-10934261-B2 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 GRM5 1467/4885SYK 4293/4885CYP1A2 4836/4885
US-10894776-B2 — CAPNS1, CAPN9, CAPN2 GRM5 1522/4885SYK 3745/4885CYP1A2 4757/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 GRM5 1467/4885SYK 4293/4885CYP1A2 4836/4885

“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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