SCHEMBL5522342

SCHEMBL5522342

COC(=O)c1cc(-c2cc(C)ccn2)n(-c2ccc(OC)nn2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JMJD6 Q6NYC1 2/20 0.39
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
ALOX5 P09917 1/20 0.36
KCNK3 O14649 1/20 0.35
KCNK9 Q9NPC2 1/20 0.35
CCR1 P32246 1/20 0.35
CCR5 P51681 1/20 0.35
CCR8 P51685 1/20 0.35
KDM4C Q9H3R0 3/20 0.34
KDM4E B2RXH2 3/20 0.34
KDM6B O15054 1/20 0.34
KDM5C P41229 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34
KDM3A Q9Y4C1 1/20 0.34
KDM5A P29375 2/20 0.34
KDM5B Q9UGL1 2/20 0.34
DYRK1A Q13627 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PTGS2 P35354 1/20 0.34

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
SCHEMBL5516492 0.90 ALDH1A1 (0.41) ALDH1A1TSHRALOX5CCR1CCR5
SCHEMBL5522493 0.88 KDM4C (0.51) JMJD6ALDH1A1TSHRKDM4CKDM4E
SCHEMBL5522520 0.87 JMJD6 (0.43) JMJD6ALDH1A1TSHRKDM4CKDM4E
SCHEMBL2914740 0.87 GRM5 (0.40) JMJD6ALDH1A1TSHRKDM4EHPGD
SCHEMBL5525851 0.86 ALOX5 (0.37) ALDH1A1TSHRALOX5KCNK3KCNK9
SCHEMBL5267693 0.83 ALDH1A1 (0.40) ALDH1A1TSHRALOX5KDM4ESMN1; SMN2
SCHEMBL5273998 0.81 ALDH1A1 (0.35) JMJD6ALDH1A1TSHRKDM4EKDM5C
SCHEMBL5269545 0.81 ALDH1A1 (0.37) ALDH1A1TSHRALOX5KDM4ESMN1; SMN2
SCHEMBL2914729 0.80 RPA1 (0.44) ALDH1A1TSHRCCR1CCR5CCR8
SCHEMBL5270243 0.79 SMN1; SMN2 (0.40) ALDH1A1TSHRALOX5KDM4CKDM5A

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-20070219210-A1 Amidopyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 US disclosed
EP-1698626-A1 AMIDOPYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 EP 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-20070219210-A1 Amidopyrazole Derivative PTGER1, PTGS1, PTGER2 JMJD6 664/4885ALDH1A1 171/4885TSHR 3156/4885

“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.