SCHEMBL1770673

SCHEMBL1770673

COc1cccc2c1OCC2Oc1cccc2ncncc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.35
TERT O14746 1/20 0.35
KDM4E B2RXH2 2/20 0.35
EGFR P00533 2/20 0.34
CYP3A4 P08684 5/20 0.34
CYP1A2 P05177 4/20 0.34
CYP2D6 P10635 4/20 0.34
CYP2C19 P33261 4/20 0.34
HSD17B10 Q99714 3/20 0.34
LMNA P02545 3/20 0.34
ALOX15 P16050 2/20 0.34
TDP1 Q9NUW8 2/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HTR1A P08908 1/20 0.32
HTR1D P28221 1/20 0.32

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
SCHEMBL1155391 0.76 ADRA2A (0.33) ALDH1A1SMN1; SMN2EGFRMEN1KMT2A
SCHEMBL29831692 0.75 EGFR (0.47) ALDH1A1EGFRCYP3A4CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL5736824 0.74 EGFR (0.46) ALDH1A1SMN1; SMN2EGFRCYP3A4CYP1A2
SCHEMBL1155097 0.72 DCPS (0.59)
SCHEMBL5661291 0.69 EGFR (0.41) EGFRKDRLRRK2
SCHEMBL5660339 0.68 SRC (0.43) EGFRKDRLRRK2
SCHEMBL1154626 0.68 KDM4E (0.36) ALDH1A1SMN1; SMN2GAATERTKDM4E
Formic Acid SCHEMBL30699784 0.67 EGFR (0.41) ALDH1A1SMN1; SMN2EGFRCYP3A4CYP1A2
SCHEMBL9460053 0.66 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2GAAKDM4EEGFR
SCHEMBL5667620 0.66 EGFR (0.46) EGFRCYP3A4CYP1A2CYP2D6CYP2C19

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-9067897-B2 2,4-Diaminoquinazolines for spinal muscular atrophy FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2015-06-30 US disclosed
US-20110112118-A1 2,4-Diaminoquinazolines for Spinal Muscular Atrophy FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2011-05-12 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-20110112118-A1 2,4-Diaminoquinazolines for Spinal Muscular Atrophy SMN1; SMN2, MUSK, MYO3B ALDH1A1 1696/4885SMN1; SMN2 1/4885GAA 133/4885

“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.