SCHEMBL21243909

SCHEMBL21243909

Cc1cc2cnn(C3CCCCO3)c2cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.48
RXRB P28702 1/20 0.48
RXRG P48443 1/20 0.48
CYP4F2 P78329 2/20 0.44
CYP4A11 Q02928 2/20 0.44
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
YTHDC1 Q96MU7 1/20 0.37
ATR Q13535 2/20 0.37
GAA P10253 1/20 0.36
RET P07949 2/20 0.36
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
IDH1 O75874 1/20 0.33
PDE9A O76083 1/20 0.33
SMO Q99835 1/20 0.33
KDM5B Q9UGL1 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
SCHEMBL30535663 0.95 RXRA (0.48) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL21197825 0.85 RXRA (0.48) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL21197843 0.85 RXRA (0.48) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL20437973 0.85 RXRA (0.48) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL20437571 0.85 RXRA (0.51) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL1027704 0.85 RXRA (0.48) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL29860235 0.85 RXRA (0.48) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL29509786 0.85 RXRA (0.48) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL21796464 0.82 RXRA (0.47) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL21796688 0.82 RXRA (0.47) RXRARXRBRXRGCYP4F2CYP4A11

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-10590115-B2 Tetrahydroquinazoline derivatives useful as anticancer agents PFIZER INC. (US) 2020-03-17 US disclosed
US-20190248767-A1 Tetrahydroquinazoline Derivatives Useful as Anticancer Agents PFIZER INC. (US) 2019-08-15 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-20190248767-A1 Tetrahydroquinazoline Derivatives Useful as Anticancer Agents TOP2A, TOP1, TOP2B RXRA 4159/4885RXRB 4354/4885RXRG 3929/4885
US-10590115-B2 Tetrahydroquinazoline derivatives useful as anticancer agents TOP2A, TOP1, TOP2B RXRA 4159/4885RXRB 4354/4885RXRG 3929/4885

“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.