SCHEMBL25895352

SCHEMBL25895352

Cc1ccc(CN=C=NC(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 1/20 0.36
IDO1 P14902 1/20 0.35
MIF P14174 3/20 0.34
TRPA1 O75762 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
AGXT P21549 2/20 0.32
MAOA P21397 1/20 0.32
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
ACACB O00763 1/20 0.31
PYCR1 P32322 1/20 0.31
ACHE P22303 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CTBP2 P56545 1/20 0.30

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
SCHEMBL28396661 0.83 IDO1 (0.44) C3AR1IDO1MIFTRPA1CYP1A2
SCHEMBL23342356 0.83 SLC6A2 (0.41) C3AR1IDO1MIFTRPA1TAAR1
SCHEMBL1883321 0.82 MIF (0.50) MIFTRPA1CYP1A2CYP2A6TAAR1
SCHEMBL8851006 0.73 IDO1 (0.42) C3AR1IDO1CYP1A2CYP2A6TAAR1
SCHEMBL436823 0.73 IDO1 (0.42) C3AR1IDO1MIFTRPA1CYP1A2
SCHEMBL23342427 0.72 SCN4A (0.31) CYP1A2MAOACYP3A4
SCHEMBL1706732 0.71 MIF (0.63) C3AR1IDO1MIFTRPA1CYP1A2
SCHEMBL19987607 0.71 IDO1 (0.41) C3AR1IDO1MIFTRPA1CYP1A2
SCHEMBL25895358 0.71 ACHE (0.41) HPGDALDH1A1CYP3A4ACHETDP1
SCHEMBL23341664 0.70 TAAR1 (0.37) TAAR1HPGDSMN1; SMN2ALDH1A1CTBP2

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 C3AR1 3029/4885IDO1 4657/4885MIF 2076/4885
US-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS KRAS, HRAS, MTOR C3AR1 3387/4885IDO1 4649/4885MIF 1281/4885

“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.