SCHEMBL29705478

SCHEMBL29705478

Nc1cnc2[nH]ncc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ROCK2 O75116 2/20 0.50
ROCK1 Q13464 2/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
RAB9A P51151 1/20 0.50
HIF1A Q16665 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PKM P14618 1/20 0.45
HTT P42858 1/20 0.45
CHEK1 O14757 3/20 0.43
RET P07949 2/20 0.42
PI4KA P42356 1/20 0.42
XDH P47989 1/20 0.42
LRRK2 Q5S007 1/20 0.42
PI4K2B Q8TCG2 1/20 0.42

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
SCHEMBL1496196 1.00 MAPT (0.50) MAPTKDM4EMEN1KMT2AROCK2
Hydrochloric Acid SCHEMBL16910254 0.98 MAPT (0.48) MAPTKDM4EMEN1KMT2AROCK2
SCHEMBL12344590 0.74 PIK3C3 (0.37) MAPTKDM4EMEN1KMT2AROCK2
SCHEMBL29930749 0.73 KIT (0.55) PIK3C3PIK3CAMAP4K4NTRK1DYRK1A
SCHEMBL11982852 0.73 PIK3C3 (0.36) MAPTKDM4EMEN1KMT2AROCK2
SCHEMBL20674185 0.73 FGFR1 (0.40) ROCK2ROCK1ALDH1A1HIF1ACHEK1
SCHEMBL3429629 0.73 PIK3C3 (0.36) MAPTKDM4EMEN1KMT2AROCK2
SCHEMBL10329 0.73 DYRK1A (0.50) MAPTKDM4EKMT2AROCK2ROCK1
SCHEMBL29705375 0.73 FGFR1 (0.40) ROCK2ROCK1ALDH1A1HIF1ACHEK1
SCHEMBL15243458 0.73 NOS1 (0.50) MAPTKDM4EMEN1KMT2AROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118546137-A Preparation method and application of 5, 6-fused bicyclic benzamide derivative 重庆大学 2024-08-27 CN claimed
US-20240336592-A1 PHENYL- AND PYRIDOPYRAZOLE DERIVATIVES AS INHIBITORS OF DDR1 REDX PHARMA PLC (GB) 2024-10-10 US disclosed
CN-118546137-A Preparation method and application of 5, 6-fused bicyclic benzamide derivative 重庆大学 2024-08-27 CN disclosed
CN-117756805-A Pteridinone derivatives as RSK inhibitors and their use 华东师范大学 2024-03-26 CN disclosed
WO-2022159745-A1 GCN2 MODULATING COMPOUNDS AND USES THEREOF HIBERCELL, INC. (US) 2022-07-28 WO 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 (1 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-20240336592-A1 PHENYL- AND PYRIDOPYRAZOLE DERIVATIVES AS INHIBITORS OF DDR1 DDR1, DDR2, DDRGK1 MAPT 3438/4885KDM4E 2654/4885MEN1 3573/4885

“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.