SCHEMBL22949548

SCHEMBL22949548

CS1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccnc4)n3)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
TSHR P16473 3/20 0.44
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2D6 P10635 3/20 0.44
CLK4 Q9HAZ1 3/20 0.44
CYP2C9 P11712 2/20 0.44
MEN1 O00255 1/20 0.44
GLA P06280 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 4/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 7/20 0.42
TP53 P04637 5/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 3/20 0.42
CYP2C19 P33261 1/20 0.41

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
SCHEMBL22947692 0.89 L3MBTL1 (0.44) ALDH1A1TSHRMEN1GLAKMT2A
SCHEMBL22947683 0.88 SMN1; SMN2 (0.41) ALDH1A1TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL22947473 0.87 L3MBTL1 (0.43) ALDH1A1TSHRMEN1GLAKMT2A
SCHEMBL22949619 0.86 L3MBTL1 (0.47) ALDH1A1TSHRCYP1A2CYP2C9MEN1
SCHEMBL22947495 0.84 L3MBTL1 (0.43) ALDH1A1TSHRCLK4MEN1GLA
SCHEMBL22947715 0.84 L3MBTL1 (0.43) ALDH1A1TSHRCLK4MEN1GLA
SCHEMBL20222583 0.83 CYP19A1 (0.42) ALDH1A1TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL22949183 0.82 L3MBTL1 (0.41) ALDH1A1TSHRMEN1GLAKMT2A
SCHEMBL22949685 0.81 L3MBTL1 (0.40) ALDH1A1TSHRMEN1GLAKMT2A
SCHEMBL22947690 0.81 KDM4E (0.46) ALDH1A1TSHRMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210036245-A1 HETEROAROMATIC COMPOUNDS MERCK PATENT GMBH (DE) 2021-02-04 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 (1 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-20210036245-A1 HETEROAROMATIC COMPOUNDS ETV6, FES, LEF1 ALDH1A1 752/4885TSHR 3468/4885CYP1A2 281/4885

“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.