SCHEMBL25895328

SCHEMBL25895328

Cc1ccc(N=C=NC(C)C)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 2/20 0.35
HTR3B O95264 2/20 0.35
HTR3A P46098 2/20 0.35
HTR3D Q70Z44 2/20 0.35
HTR3C Q8WXA8 2/20 0.35
SLC22A2 O15244 1/20 0.35
SLC22A1 O15245 1/20 0.35
SLC22A3 O75751 1/20 0.35
PLAU P00749 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
ACHE P22303 1/20 0.35
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
STAT3 P40763 1/20 0.31
STAT1 P42224 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL159755 0.81 ACHE (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11430714 0.81 ESR2 (0.38) NPC1MAPTRAB9AESR2ALDH1A1
SCHEMBL23341667 0.81 ADRB2 (0.35) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1007787 0.80 MIF (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3275767 0.78 ALDH1A1 (0.45) TDP1NPC1MAPTMAPK1RAB9A
SCHEMBL23341680 0.78 CA1 (0.42) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL25895338 0.76 NPC1 (0.41) TDP1NPC1MAPTMAPK1RAB9A
SCHEMBL15086596 0.75 ACHE (0.40) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL508209 0.73 MIF (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6709373 0.73 ACHE (0.38) HTR3EHTR3BHTR3AHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11739074-B2 Ras inhibitors Revolution Medicines, Inc. (US) 2023-08-29 US disclosed
US-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-07-27 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 (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-11739074-B2 Ras inhibitors KRAS, NRAS, HRAS HTR3E 4701/4885HTR3B 4715/4885HTR3A 4802/4885
US-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS KRAS, HRAS, MTOR HTR3E 3879/4885HTR3B 4218/4885HTR3A 4486/4885

“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.