SCHEMBL19902330

SCHEMBL19902330

CCCOC(=O)c1cc2n(n1)CCNC2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.44
JMJD6 Q6NYC1 1/20 0.41
ALDH1A1 P00352 4/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
FAAH O00519 2/20 0.37
MGLL Q99685 1/20 0.37
PLAT P00750 4/20 0.37
CYP2C9 P11712 1/20 0.36
MAPT P10636 2/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36

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
SCHEMBL2520510 0.90 CDC7 (0.46) CDC7JMJD6ALDH1A1CYP1A2CYP2C19
SCHEMBL19902329 0.87 CDC7 (0.41) CDC7ALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL22716058 0.83 CDC7 (0.49) CDC7JMJD6ALDH1A1CYP1A2CYP2C19
SCHEMBL12092839 0.78 CDC7 (0.52) CDC7ALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL15009288 0.77 CDC7 (0.54) CDC7ALDH1A1SMN1; SMN2PLATMAPT
SCHEMBL4192947 0.76 CDC7 (0.52) CDC7ALDH1A1PIM1PIM2RPS6KA3
SCHEMBL3127245 0.75 ALDH1A1 (0.46) CDC7ALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL29256111 0.73 ALDH1A1 (0.70) ALDH1A1CYP1A2CYP2C19SMN1; SMN2MEN1
SCHEMBL2572340 0.73 CDC7 (0.50) CDC7ALDH1A1PIM1PIM2
SCHEMBL9938009 0.72 CDC7 (0.46) CDC7CYP1A2PIM1PIM2

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-20180155296-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2018-06-07 US disclosed
US-9902702-B2 Spirocycloheptanes as inhibitors of rock BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-27 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 CDC7 1474/4885JMJD6 2001/4885ALDH1A1 1252/4885

“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.