SCHEMBL6071197

SCHEMBL6071197

CCCCn1c2c(c3ccccc31)CCc1c-2n[nH]c1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
HPGD P15428 2/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
HSD17B10 Q99714 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
PDE5A O76074 5/20 0.51
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
PGR P06401 1/20 0.41
RORA P35398 1/20 0.41
RORC P51449 1/20 0.41
RORB Q92753 1/20 0.41
AURKA O14965 1/20 0.41
MAPK10 P53779 1/20 0.41
RIPK1 Q13546 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
SCHEMBL6071280 0.94 PDE5A (0.49) ALDH1A1MEN1KMT2AHPGDTSHR
SCHEMBL6071467 0.89 PDE5A (0.47) ALDH1A1MEN1KMT2AHPGDTSHR
SCHEMBL6071587 0.84 KDM4E (0.45) ALDH1A1MEN1KMT2AHPGDTSHR
SCHEMBL6071546 0.83 MAPT (0.48) ALDH1A1MEN1KMT2ATSHRMAPK1
SCHEMBL6071171 0.78 KDM4E (0.41) ALDH1A1MEN1KMT2ATSHRMAPK1
SCHEMBL6071119 0.66 AURKA (0.68) ALDH1A1MEN1KMT2AHPGDTSHR
SCHEMBL6071191 0.65 KDM4E (0.47) ALDH1A1MEN1KMT2AHPGDTSHR
SCHEMBL2216672 0.65 CNR2 (0.70) ALDH1A1HPGDPGRRORARORC
SCHEMBL27967763 0.64 PGR (0.52) ALDH1A1PGRRORARORCRORB
SCHEMBL8784179 0.64 AGTR1 (0.55) ALDH1A1MEN1KMT2AHPGDPGR

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-20060264493-A1 Tetracyclic pyrazole derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2006-11-23 US claimed

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-20060264493-A1 Tetracyclic pyrazole derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K1, MAP3K19, MAP3K20 ALDH1A1 4446/4885MEN1 2523/4885KMT2A 2104/4885

“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.