SCHEMBL21427775

SCHEMBL21427775

c1cc2c3ccncc3p(-p3c4cnccc4c4ccncc43)c2cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2A6 P11509 2/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ MAPKAPK2 P49137 1/20 0.38
▸ GABRP O00591 1/20 0.38
▸ GABRD O14764 1/20 0.38
▸ IKBKB O14920 1/20 0.38

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
SCHEMBL21428102 0.88 KDM4E (0.45) ALDH1A1CYP1A2CYP3A4CYP2A6KDM4E
SCHEMBL22866146 0.88 KDM4E (0.45) ALDH1A1CYP1A2CYP3A4CYP2A6KDM4E
SCHEMBL22866145 0.88 KDM4E (0.45) ALDH1A1CYP1A2CYP3A4CYP2A6KDM4E
SCHEMBL22866375 0.82 PIM1 (0.36) CYP3A4CYP2A6MAPTPIM1DYRK1A
SCHEMBL21427701 0.80 ACHE (0.37) ALDH1A1CYP1A2CYP3A4CYP2A6KDM4E
SCHEMBL21427709 0.76 ACHE (0.44) ALDH1A1CYP1A2CYP3A4CYP2A6KDM4E
SCHEMBL21427720 0.76 ACHE (0.44) ALDH1A1CYP1A2CYP3A4CYP2A6KDM4E
SCHEMBL21427702 0.76 ACHE (0.44) ALDH1A1CYP1A2CYP3A4CYP2A6KDM4E
SCHEMBL17951775 0.71 CFTR (0.42) ALDH1A1CYP1A2CYP3A4CYP2A6KDM4E
SCHEMBL11202057 0.71 KDM4C (0.43) ALDH1A1CYP1A2CYP3A4KDM4ELMNA

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-20210002310-A1 PHOSPHAVIOLOGEN DERIVATIVES, METHODS OF MAKING THE SAME, AND USES THEREOF BAUMGARTNER THOMAS (CA) 2021-01-07 — — US disclosed
WO-2019183716-A1 PHOSPHAVIOLOGEN DERIVATIVES, METHODS OF MAKING THE SAME, AND USES THEREOF BAUMGARTNER THOMAS (CA) 2019-10-03 — — WO 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-20210002310-A1 PHOSPHAVIOLOGEN DERIVATIVES, METHODS OF MAKING THE SAME, AND USES THEREOF CDS2, PLCG2, PHOSPHO1 ALDH1A1 4020/4885CYP1A2 2283/4885CYP3A4 1869/4885

“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.

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