SCHEMBL26005245

SCHEMBL26005245

CNc1cccc(CNC(C)=N)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 2/20 0.40
PKM P14618 1/20 0.40
ALOX12 P18054 1/20 0.40
HPGD P15428 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
PTPN1 P18031 1/20 0.38
NOS1 P29475 2/20 0.38
SENP1 Q9P0U3 1/20 0.36
CYP19A1 P11511 1/20 0.36
APP P05067 1/20 0.36
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL7871418 0.85 ALDH1A1 (0.52) ALDH1A1MAPTLMNAPKMALOX12
SCHEMBL20714977 0.85 ROCK2 (0.42) ROCK2ROCK1ALDH1A1MAPTLMNA
Bromide SCHEMBL7871368 0.83 ALDH1A1 (0.50) ALDH1A1MAPTLMNAPKMALOX12
SCHEMBL694147 0.79 CYP1A2 (0.54) ROCK2ROCK1ALDH1A1MAPTLMNA
SCHEMBL16216150 0.79 MMP13 (0.53) ALDH1A1LMNAHPGDMEN1GAA
SCHEMBL10061632 0.77 KDM4E (0.52) MAPTNOS1APP
SCHEMBL30880298 0.77 KDM4E (0.52) MAPTNOS1APP
SCHEMBL16216182 0.77 ALDH1A1 (0.41) ALDH1A1MAPTLMNAPKMALOX12
SCHEMBL16216194 0.77 ALDH1A1 (0.41) ALDH1A1MAPTLMNAPKMALOX12
SCHEMBL16216215 0.77 ALDH1A1 (0.41) ALDH1A1MAPTLMNAPKMALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230264171-A1 CHROMATOGRAPHY RESIN HAVING AN ANIONIC EXCHANGE-HYDROPHOBIC MIXED MODE LIGAND BIO-RAD LABORATORIES, INC. 2023-08-24 US disclosed
US-11666888-B2 Chromatography resin having an anionic exchange-hydrophobic mixed mode ligand BIO-RAD LABORATORIES, INC. (US) 2023-06-06 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-11666888-B2 Chromatography resin having an anionic exchange-hydrophobic mixed mode ligand MSR1, RXRA, MLX ROCK2 2973/4885ROCK1 3063/4885ALDH1A1 4448/4885
US-20230264171-A1 CHROMATOGRAPHY RESIN HAVING AN ANIONIC EXCHANGE-HYDROPHOBIC MIXED MODE LIGAND MSR1, RXRA, MLX ROCK2 2973/4885ROCK1 3063/4885ALDH1A1 4448/4885

“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.