SCHEMBL22343402

SCHEMBL22343402

CCC(C)Cc1ccc(F)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.44
LMNA P02545 1/20 0.40
SOS1 Q07889 2/20 0.39
TSHR P16473 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PIK3CA P42336 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
DAO P14920 1/20 0.35
CNR2 P34972 1/20 0.35
PGR P06401 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35

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
SCHEMBL23095143 0.86 PNMT (0.42) PNMTLMNASOS1TSHRKDM4E
SCHEMBL18826868 0.86 PNMT (0.42) PNMTLMNASOS1TSHRKDM4E
SCHEMBL24568964 0.86 PNMT (0.44) PNMTSLC6A2SLC6A3
SCHEMBL19772459 0.83 PNMT (0.63) PNMTTSHRMEN1KMT2ASLC6A2
SCHEMBL6126362 0.83 PNMT (0.48) PNMTLMNASOS1TSHRKDM4E
SCHEMBL13165986 0.83 PNMT (0.63) PNMTTSHRMEN1KMT2ASLC6A2
SCHEMBL13165985 0.83 PNMT (0.63) PNMTTSHRMEN1KMT2ASLC6A2
SCHEMBL14463122 0.83 ALDH1A1 (0.38) LMNAKDM4EMEN1KMT2ASLC6A2
SCHEMBL15178130 0.82 TSHR (0.41) PNMTLMNASOS1TSHRKDM4E
SCHEMBL28747785 0.80 PNMT (0.46) PNMTLMNASOS1TSHRKDM4E

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-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

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 PNMT 3692/4885LMNA 3082/4885SOS1 353/4885
US-11318137-B2 Quinazoline compounds as modulators of Ras signaling NRAS, KRAS, MAVS PNMT 3692/4885LMNA 3082/4885SOS1 353/4885

“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.