SCHEMBL25895341

SCHEMBL25895341

Cc1ccccc1N=C=NC(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.40
CYP3A4 P08684 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP2C9 P11712 1/20 0.36
ACHE P22303 1/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
SIGMAR1 Q99720 5/20 0.33
KMT2A Q03164 2/20 0.33
GRIN2D O15399 2/20 0.33
GRIN3B O60391 2/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2A Q12879 2/20 0.33
GRIN2B Q13224 2/20 0.33
GRIN2C Q14957 2/20 0.33
GRIN3A Q8TCU5 2/20 0.33
MEN1 O00255 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
SCHEMBL28438640 0.83 CYP3A4 (0.33) TSHRCYP3A4SMN1; SMN2TP53MAPK1
SCHEMBL437747 0.83 TSHR (0.47) TSHRCYP3A4SMN1; SMN2TP53MAPK1
SCHEMBL29516244 0.83 TSHR (0.47) TSHRCYP3A4SMN1; SMN2TP53MAPK1
SCHEMBL815068 0.78 SIGMAR1 (0.39) TSHRCYP3A4SIGMAR1KMT2AGRIN2D
SCHEMBL25895338 0.77 NPC1 (0.41) TSHRCYP3A4SMN1; SMN2TP53MAPK1
SCHEMBL2047233 0.77 TSHR (0.47) TSHRCYP3A4SMN1; SMN2TP53MAPK1
SCHEMBL9136636 0.77 TSHR (0.43) TSHRCYP3A4SMN1; SMN2TP53MAPK1
SCHEMBL1007787 0.77 MIF (0.44) TSHRMAPK1TDP1ALDH1A1MIF
SCHEMBL7760703 0.77 CYP2C9 (0.44) TSHRCYP3A4SMN1; SMN2TP53MAPK1
SCHEMBL23341671 0.76 KMT2A (0.42) TSHRCYP3A4TP53MAPK1TDP1

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 TSHR 3396/4885CYP3A4 3310/4885SMN1; SMN2 3861/4885
US-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS KRAS, HRAS, MTOR TSHR 4120/4885CYP3A4 4873/4885SMN1; SMN2 1139/4885

“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.