SCHEMBL24733366

SCHEMBL24733366

CC(C)N1CCCC(NC#N)CC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 5/20 0.36
HRH3 Q9Y5N1 4/20 0.36
KDM1A O60341 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP2D6 P10635 1/20 0.34
CTSK P43235 1/20 0.33
KAT2B Q92831 1/20 0.32
WHR1 P49842 1/20 0.31

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
SCHEMBL24733364 0.86 DRD2 (0.40) DRD2DRD3CTSKKAT2B
SCHEMBL26889966 0.82 HRH3 (0.37) NSD2HRH3KDM1AALDH1A1CYP2D6
SCHEMBL25723913 0.81 CTSK (0.36) NSD2HRH3KDM1ADRD2DRD3
SCHEMBL26897877 0.81 CTSK (0.37) HRH3DRD2DRD3CYP2D6CTSK
SCHEMBL26890036 0.81 CTSK (0.37) HRH3DRD2DRD3CYP2D6CTSK
SCHEMBL19243860 0.77 KDM1A (0.38) NSD2HRH3KDM1AALDH1A1CYP2D6
SCHEMBL15803260 0.77 HRH3 (0.41) NSD2HRH3KDM1AALDH1A1CYP2D6
SCHEMBL22254765 0.77 KDM1A (0.45) HRH3KDM1AALDH1A1CYP2D6KAT2B
SCHEMBL19623362 0.77 KDM1A (0.38) NSD2HRH3KDM1AALDH1A1CYP2D6
SCHEMBL29346783 0.77 KDM1A (0.38) NSD2HRH3KDM1AALDH1A1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912723-B2 KRAS modulators and uses thereof QUANTA THERAPEUTICS, INC. (US) 2024-02-27 US disclosed
WO-2023230190-A1 PYRIMIDINE BASED MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. (US) 2023-11-30 WO disclosed
US-20230374042-A1 KRAS MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. 2023-11-23 US disclosed
WO-2023154766-A1 KRAS MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. (US) 2023-08-17 WO disclosed
WO-2023114733-A1 KRAS MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. (US) 2023-06-22 WO disclosed
WO-2022256459-A1 KRAS MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. (US) 2022-12-08 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 (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-20230374042-A1 KRAS MODULATORS AND USES THEREOF KRAS, NRAS, HRAS NSD2 3345/4885HRH3 2573/4885KDM1A 4447/4885
US-11912723-B2 KRAS modulators and uses thereof KRAS, NRAS, HRAS NSD2 3345/4885HRH3 2573/4885KDM1A 4447/4885

“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.