SCHEMBL24916401

SCHEMBL24916401

COc1ccc2c(C)ncc(C(C)C)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.42
P2RX2 Q9UBL9 2/20 0.42
DYRK1A Q13627 5/20 0.40
ACHE P22303 4/20 0.40
KDM4E B2RXH2 4/20 0.40
MAOA P21397 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
DYRK3 O43781 1/20 0.40
CCNT1 O60563 1/20 0.40
CCNB2 O95067 1/20 0.40
CYP1A2 P05177 1/20 0.40
CDK1 P06493 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADRA2A P08913 1/20 0.40
CYP2D6 P10635 1/20 0.40
CCNB1 P14635 1/20 0.40
HPGD P15428 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40

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
SCHEMBL24916397 0.83 P2RX3 (0.42) P2RX3P2RX2DYRK1AACHEKDM4E
SCHEMBL24916396 0.82 DYRK1A (0.41) P2RX3P2RX2DYRK1AKDM4EALDH1A1
SCHEMBL13829985 0.78 KMT2A (0.43) DYRK1AACHEKDM4EMAOAALDH1A1
SCHEMBL18101005 0.76 MAOA (0.44) DYRK1AKDM4EMAOAHSD17B10HPGD
SCHEMBL19237536 0.74 RAB9A (0.43) P2RX3P2RX2DYRK1AACHEKDM4E
SCHEMBL24916399 0.73 CYP11B2 (0.49) P2RX3P2RX2CYP1A2CYP3A4CYP2D6
SCHEMBL24842479 0.73 P2RX3 (0.40) P2RX3P2RX2ALDH1A1CYP1A2CYP3A4
SCHEMBL14543177 0.72 SMN1; SMN2 (0.53) DYRK1AACHEKDM4EMAOAALDH1A1
SCHEMBL12197723 0.72 CYP2A6 (0.42) P2RX3P2RX2KDM4ECYP1A2CYP3A4
SCHEMBL24391769 0.72 ALDH1A1 (0.39) P2RX3P2RX2KDM4EALDH1A1CYP1A2

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-20230026466-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2023-01-26 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-20230026466-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 P2RX3 3671/4885P2RX2 3727/4885DYRK1A 2337/4885

“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.