SCHEMBL29899326

SCHEMBL29899326

[2H]c1ccccc1-c1c(C(C)C)cc(C(C)C)cc1C(C)C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 1/20 0.43
▸ FABP3 P05413 2/20 0.39
▸ FABP4 P15090 2/20 0.39
▸ GABRA1 P14867 3/20 0.36
▸ GABRB2 P47870 2/20 0.36
▸ METAP2 P50579 1/20 0.36
▸ FABP5 Q01469 1/20 0.34
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ RXRG P48443 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ GABRB1 P18505 1/20 0.31

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
SCHEMBL2727228 0.87 ROCK2 (0.49) ROCK2FABP3FABP4GABRA1GABRB2
SCHEMBL30595909 0.86 ROCK2 (0.32) ROCK2GABRA1GABRB2
Phosphine SCHEMBL27043067 0.85 ROCK2 (0.48) ROCK2FABP3FABP4GABRA1GABRB2
SCHEMBL29424818 0.85 ROCK2 (0.48) ROCK2FABP3FABP4GABRA1GABRB2
SCHEMBL30842176 0.80 ROCK2 (0.48) ROCK2FABP3FABP4GABRA1GABRB2
Carbimide SCHEMBL27867638 0.80 ROCK2 (0.44) ROCK2FABP3FABP4GABRA1GABRB2
SCHEMBL28747511 0.76 ROCK2 (0.42) ROCK2FABP3FABP4GABRA1GABRB2
SCHEMBL368977 0.72 FABP3 (0.41) ROCK2FABP3FABP4GABRA1GABRB2
SCHEMBL30301693 0.72 ROCK2 (0.42) ROCK2FABP3FABP4GABRA1GABRB2
SCHEMBL30159236 0.72 ROCK2 (0.42) ROCK2FABP3FABP4GABRA1GABRB2

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-12391696-B2 Pyrrolopyrazole derivatives, preparation method thereof and application thereof in medicine SHANGHAI MEDICILON INC. (CN) 2025-08-19 — — US disclosed
WO-2025016899-A1 SPIROCYCLIC COMPOUNDS FOR THE TREATMENT OF CANCER BAYER AKTIENGESELLSCHAFT (DE) 2025-01-23 — — WO disclosed
US-20220281877-A1 PYRROLOPYRAZOLE DERIVATIVES, PREPARATION METHOD THEREOF AND APPLICATION THEREOF IN MEDICINE MEDICILON PRECLINICAL RESEARCH (SHANGHAI) LLC. (CN) 2022-09-08 — — 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-20220281877-A1 PYRROLOPYRAZOLE DERIVATIVES, PREPARATION METHOD THEREOF AND APPLICATION THEREOF IN MEDICINE ATP1A2, GIPR, PGC ROCK2 3849/4885FABP3 158/4885FABP4 1115/4885
US-12391696-B2 Pyrrolopyrazole derivatives, preparation method thereof and application thereof in medicine ATP1A2, GIPR, PGC ROCK2 3849/4885FABP3 158/4885FABP4 1115/4885

“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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