SCHEMBL5229618

SCHEMBL5229618

CCOC(=O)c1cn(Cc2ccccc2)nc1NC(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
LMNA P02545 2/20 0.52
TSHR P16473 3/20 0.47
KDM4E B2RXH2 2/20 0.47
AGTR1 P30556 2/20 0.46
P2RX7 Q99572 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
DGAT1 O75907 1/20 0.43
CREBBP Q92793 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
RAB9A P51151 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CYP19A1 P11511 1/20 0.41
NPC1 O15118 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
SCHEMBL8693623 0.87 ALDH1A1 (0.48) ALDH1A1LMNATSHRKDM4EAGTR1
SCHEMBL28764370 0.85 ALDH1A1 (0.49) ALDH1A1LMNASMN1; SMN2DGAT1NPSR1
SCHEMBL8693518 0.85 EGFR (0.54) ALDH1A1LMNATSHRKDM4EAGTR1
SCHEMBL8693064 0.84 ALDH1A1 (0.52) ALDH1A1LMNATSHRKDM4EAGTR1
SCHEMBL14542033 0.82 PDE4B (0.49) ALDH1A1LMNATSHRKDM4EAGTR1
SCHEMBL8696320 0.82 ALDH1A1 (0.50) ALDH1A1LMNATSHRKDM4EAGTR1
SCHEMBL8698039 0.82 ADORA3 (0.52) ALDH1A1LMNATSHRKDM4EAGTR1
SCHEMBL5230576 0.81 NPSR1 (0.58) ALDH1A1TSHRKDM4EMAPK1SMN1; SMN2
SCHEMBL8693552 0.81 MAPT (0.54) ALDH1A1LMNATSHRKDM4EAGTR1
SCHEMBL4852276 0.80 ALDH1A1 (0.59) ALDH1A1LMNATSHRKDM4EAGTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730116-B1 4-CARBOX PYRAZOLE DERIVATES USEFUL AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORP (US) 2007-09-05 EP disclosed
EP-1730116-B1 4-CARBOX PYRAZOLE DERIVATES USEFUL AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORP (US) 2007-09-05 EP disclosed
US-20070167507-A1 4-Carbox pyrazole derivatives useful as anti-viral agents GLAXO GROUP LIMITED (GB) 2007-07-19 US disclosed
US-20070167507-A1 4-Carbox pyrazole derivatives useful as anti-viral agents GLAXO GROUP LIMITED (GB) 2007-07-19 US disclosed
US-20070167507-A1 4-Carbox pyrazole derivatives useful as anti-viral agents GLAXO GROUP LIMITED (GB) 2007-07-19 US disclosed
WO-2007039146-A1 4-CARBOXY PYRAZOLE DERIVATIVES AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-12 WO disclosed
EP-1228070-B1 HETEROALKYLAMINO-SUBSTITUTED BICYCLIC NITROGEN HETEROCYCLES AS INHIBITORS OF P38 PROTEIN KINASE HOFFMANN LA ROCHE (CH) 2007-02-07 EP disclosed
EP-1730116-A1 4-CARBOX PYRAZOLE DERIVATES USEFUL AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2006-12-13 EP disclosed
WO-2005092863-A1 4-CARBOX PYRAZOLE DERIVATES USEFUL AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2005-10-06 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-20070167507-A1 4-Carbox pyrazole derivatives useful as anti-viral agents HAVCR2, RPL35, ZC3HAV1L ALDH1A1 1138/4885LMNA 3020/4885TSHR 3873/4885

“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.