SCHEMBL20229727

SCHEMBL20229727

CCc1cn2cc(C(C)=O)nc2s1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.33
TP53 P04637 8/20 0.33
THRB P10828 1/20 0.33
RAB9A P51151 1/20 0.32
NPC1 O15118 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 3/20 0.31
ALDH1A1 P00352 2/20 0.30
HPGD P15428 2/20 0.30
KDM4E B2RXH2 2/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL23387630 0.87 PTGS1 (0.39) SMN1; SMN2TP53THRBRAB9ANPC1
SCHEMBL20229724 0.80 TP53 (0.33) SMN1; SMN2TP53THRBMAPT
SCHEMBL17863729 0.77 CYP19A1 (0.45) SMN1; SMN2TP53RAB9ANPC1MAPT
SCHEMBL17863733 0.76 KDM1A (0.33) SMN1; SMN2RAB9ANPC1MAPTALDH1A1
SCHEMBL17863720 0.75 DAO (0.32)
SCHEMBL17863728 0.73 CCNE1 (0.31)
SCHEMBL17863736 0.73 LMNA (0.33) KMT2A
SCHEMBL17863730 0.73 PKM (0.33)
SCHEMBL14046214 0.71 TP53 (0.34) SMN1; SMN2TP53THRBMAPT
SCHEMBL11326572 0.71 KDM4E (0.42) SMN1; SMN2MAPTALDH1A1HPGDKDM4E

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-20180155296-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2018-06-07 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-20180155296-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK ROCK1, MYLK, ROCK2 SMN1; SMN2 1146/4885TP53 3738/4885THRB 410/4885

“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.