SCHEMBL25524327

SCHEMBL25524327

c1ccc2c(c1)ncc[n+]2-[n+]1cccc2ncccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
KDM4E B2RXH2 2/20 0.37
MAPT P10636 1/20 0.37
CYP3A4 P08684 1/20 0.34
NPC1 O15118 3/20 0.31
POLB P06746 3/20 0.31
RAB9A P51151 2/20 0.31
NCF1 P14598 1/20 0.31
CDK1 P06493 1/20 0.30
CDK2 P24941 1/20 0.30
MKNK1 Q9BUB5 1/20 0.30
MKNK2 Q9HBH9 1/20 0.30
LMNA P02545 2/20 0.30
METAP1 P53582 2/20 0.30
CYP1A2 P05177 1/20 0.30
CCR1 P32246 1/20 0.30
CCR5 P51681 1/20 0.30
CCR8 P51685 1/20 0.30
BLM P54132 1/20 0.30
HIF1A Q16665 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
SCHEMBL28809132 0.73 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTCYP3A4NPC1
SCHEMBL247478 0.73 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTCYP3A4NPC1
SCHEMBL29364156 0.73 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTCYP3A4NPC1
SCHEMBL13403464 0.73 HDAC8 (0.43) ALDH1A1KDM4EMAPTNPC1POLB
SCHEMBL240893 0.71 ALDH1A1 (0.38) ALDH1A1KDM4EMAPTCYP3A4NCF1
SCHEMBL9317055 0.71 ALDH1A1 (0.38) ALDH1A1RAB9ANCF1TSHR
Bromide SCHEMBL7758538 0.69 ALDH1A1 (0.37) ALDH1A1KDM4ENCF1LMNATSHR
SCHEMBL6512973 0.69 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTCYP3A4NPC1
Iodide SCHEMBL9646548 0.69 ALDH1A1 (0.37) ALDH1A1KDM4EMAPTCYP3A4RAB9A
SCHEMBL25342075 0.69 BCHE (0.42) ALDH1A1KDM4EMAPTNPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167133-A1 7H-PYRROLO[2,3-D]PYRIMIDINES AND PREPARATION AND USES THEREOF VICKERS VENTURE FUND VI PTE. LTD. (SG) 2023-06-01 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 (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-20230167133-A1 7H-PYRROLO[2,3-D]PYRIMIDINES AND PREPARATION AND USES THEREOF DYRK1A, DYRK1B, DYRK2 ALDH1A1 3447/4885KDM4E 1835/4885MAPT 341/4885

“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.