SCHEMBL22321920

SCHEMBL22321920

C[C@@H](Nc1nc(Nc2ccc(F)c(Cl)c2)nc2ccccc12)C(C)(C)C

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 13/20 0.72
NPY5R Q15761 2/20 0.54
ABCG2 Q9UNQ0 1/20 0.54
EGFR P00533 1/20 0.51
SLC2A1 P11166 1/20 0.48
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
ACP1 P24666 1/20 0.47

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
SCHEMBL29490044 1.00 SOS1 (0.72) SOS1NPY5RABCG2EGFRSLC2A1
SCHEMBL22342965 0.85 SOS1 (0.79) SOS1NPY5RABCG2EGFRSLC2A1
SCHEMBL20564785 0.84 SOS1 (0.57) SOS1
SCHEMBL29490030 0.84 SOS1 (0.57) SOS1
SCHEMBL29490075 0.83 SOS1 (1.00) SOS1NPY5RABCG2EGFR
SCHEMBL22321839 0.83 SOS1 (1.00) SOS1NPY5RABCG2EGFR
SCHEMBL29490107 0.83 SOS1 (0.52) SOS1NPY5RSLC2A1MEN1KMT2A
SCHEMBL22321777 0.83 SOS1 (0.52) SOS1NPY5RSLC2A1MEN1KMT2A
SCHEMBL22321870 0.82 SOS1 (0.76) SOS1
SCHEMBL29490038 0.82 SOS1 (0.76) SOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11318137-B2 Quinazoline compounds as modulators of Ras signaling VANDERBILT UNIVERSITY (US) 2022-05-03 US disclosed
US-20200253974-A1 QUINAZOLINE COMPOUNDS AS MODULATORS OF RAS SIGNALING VANDERBILT UNIVERSITY 2020-08-13 US disclosed
US-20200253974-A1 QUINAZOLINE COMPOUNDS AS MODULATORS OF RAS SIGNALING VANDERBILT UNIVERSITY 2020-08-13 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-20200253974-A1 QUINAZOLINE COMPOUNDS AS MODULATORS OF RAS SIGNALING NRAS, KRAS, MAVS SOS1 353/4885NPY5R 4278/4885ABCG2 2853/4885
US-11318137-B2 Quinazoline compounds as modulators of Ras signaling NRAS, KRAS, MAVS SOS1 353/4885NPY5R 4278/4885ABCG2 2853/4885

“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.