SCHEMBL25895338

SCHEMBL25895338

Cc1ccc(N=C=NC(C)C)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.41
RAB9A P51151 6/20 0.41
CYP3A4 P08684 3/20 0.41
ADRA2A P08913 1/20 0.41
MAPT P10636 6/20 0.35
LMNA P02545 4/20 0.35
ALDH1A1 P00352 5/20 0.34
KDM4E B2RXH2 4/20 0.34
HTT P42858 3/20 0.34
GAA P10253 4/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
THRB P10828 2/20 0.33
POLB P06746 2/20 0.33
PKM P14618 2/20 0.33
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33

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
SCHEMBL14518104 0.84 NPC1 (0.48) NPC1RAB9ACYP3A4ADRA2AMAPT
SCHEMBL25895341 0.77 TSHR (0.40) NPC1RAB9ACYP3A4MAPTLMNA
SCHEMBL25895328 0.76 HTR3E (0.35) NPC1RAB9AMAPTALDH1A1TDP1
SCHEMBL25895355 0.76 KDM4E (0.36) ALDH1A1KDM4EHSD17B10MAPK1
SCHEMBL11423131 0.74 LMNA (0.35) NPC1RAB9ACYP3A4ADRA2AMAPT
SCHEMBL31115174 0.72 CYP3A4 (0.52) NPC1RAB9ACYP3A4ADRA2AMAPT
SCHEMBL30421135 0.72 NPC1 (0.46) NPC1RAB9ACYP3A4ADRA2AMAPT
SCHEMBL31115173 0.72 CYP3A4 (0.52) NPC1RAB9ACYP3A4ADRA2AMAPT
SCHEMBL945304 0.72 NPC1 (0.46) NPC1RAB9ACYP3A4ADRA2AMAPT
SCHEMBL28008208 0.72 NPC1 (0.46) NPC1RAB9ACYP3A4ADRA2AMAPT

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 NPC1 2278/4885RAB9A 39/4885CYP3A4 3310/4885
US-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS KRAS, HRAS, MTOR NPC1 2014/4885RAB9A 132/4885CYP3A4 4873/4885

“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.