SCHEMBL27178018

SCHEMBL27178018

CC(=NNC(=O)c1cccc2ccccc12)c1ccncc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.67
POLB P06746 1/20 0.67
AGTR1 P30556 1/20 0.67
ALDH1A1 P00352 4/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
CYP3A4 P08684 2/20 0.66
TP53 P04637 1/20 0.66
CYP1A2 P05177 1/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66
BRCA1 P38398 1/20 0.66
HBB P68871 1/20 0.66
HIF1A Q16665 1/20 0.66
NPC1 O15118 4/20 0.63
RAB9A P51151 4/20 0.63
MEN1 O00255 2/20 0.63
GAA P10253 6/20 0.60
LMNA P02545 2/20 0.59
PKM P14618 1/20 0.59
MTOR P42345 1/20 0.57

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
SCHEMBL27178011 1.00 KMT2A (0.67) KMT2APOLBAGTR1ALDH1A1SMN1; SMN2
SCHEMBL1563626 0.89 NPC1 (0.65) KMT2APOLBAGTR1ALDH1A1SMN1; SMN2
SCHEMBL6639769 0.89 NPC1 (0.65) KMT2APOLBAGTR1ALDH1A1SMN1; SMN2
SCHEMBL1563625 0.89 NPC1 (0.65) KMT2APOLBAGTR1ALDH1A1SMN1; SMN2
SCHEMBL27178102 0.86 ATM (0.73) KMT2APOLBAGTR1ALDH1A1NPC1
SCHEMBL27178086 0.86 ATM (0.73) KMT2APOLBAGTR1ALDH1A1NPC1
SCHEMBL27178104 0.84 NPC1 (0.60) KMT2APOLBAGTR1ALDH1A1SMN1; SMN2
SCHEMBL27178094 0.84 NPC1 (0.60) KMT2APOLBAGTR1ALDH1A1SMN1; SMN2
SCHEMBL23719206 0.83 NPC1 (0.64) KMT2APOLBALDH1A1SMN1; SMN2CYP3A4
SCHEMBL27178027 0.83 ATM (0.74) KMT2AALDH1A1SMN1; SMN2CYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4580403-A2 APYRASE INHIBITORS Texas Crop Science, Inc. (US) 2025-07-09 EP claimed
US-20240101510-A1 APYRASE INHIBITORS TEXAS CROP SCIENCE, INC. 2024-03-28 US claimed
WO-2024050040-A2 APYRASE INHIBITORS TEXAS CROP SCIENCE (US) 2024-03-07 WO claimed
US-20240101510-A1 APYRASE INHIBITORS TEXAS CROP SCIENCE, INC. 2024-03-28 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-20240101510-A1 APYRASE INHIBITORS APEH, DPEP1, PON1 KMT2A 3249/4885POLB 3494/4885AGTR1 865/4885

“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.