SCHEMBL912823

SCHEMBL912823

Cc1cccc(/C=N/NC2=NN(CCCO)NC(N3CCOCC3)=C2)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.49
▸ MAPT P10636 3/20 0.49
▸ LMNA P02545 3/20 0.49
▸ HPGD P15428 1/20 0.49
▸ PIKFYVE Q9Y2I7 11/20 0.45
▸ FES P07332 1/20 0.43
▸ FER P16591 1/20 0.43
▸ TYK2 P29597 1/20 0.43
▸ FRK P42685 1/20 0.43
▸ SYK P43405 1/20 0.43
▸ CAMK1D Q8IU85 1/20 0.43
▸ IRAK4 Q9NWZ3 1/20 0.43
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL912825 1.00 KDM4E (0.49) KDM4EMAPTLMNAHPGDPIKFYVE
SCHEMBL912258 0.81 POLB (0.41) KDM4EMAPTLMNAHPGDPIKFYVE
SCHEMBL912260 0.81 POLB (0.41) KDM4EMAPTLMNAHPGDPIKFYVE
SCHEMBL912583 0.73 ALDH1A1 (0.32) MAPTLMNAALDH1A1
SCHEMBL912362 0.71 KDM4E (0.70) KDM4EMAPTLMNAHPGDPIKFYVE
SCHEMBL913770 0.71 KDM4E (0.59) KDM4EMAPTLMNAHPGDPIKFYVE
SCHEMBL912824 0.71 KDM4E (0.59) KDM4EMAPTLMNAHPGDPIKFYVE
SCHEMBL912360 0.71 KDM4E (0.70) KDM4EMAPTLMNAHPGDPIKFYVE
SCHEMBL13144751 0.71 PIKFYVE (0.76) KDM4EMAPTLMNAHPGDPIKFYVE
SCHEMBL913109 0.69 KDM4E (0.72) KDM4EMAPTLMNAHPGDPIKFYVE

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-7872005-B2 2-substituted heteroaryl compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2011-01-18 — — US disclosed
US-20060063739-A1 2-Substituted heteroaryl compounds LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2006-03-23 — — 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-20060063739-A1 2-Substituted heteroaryl compounds IL2, IL4, IL2RA KDM4E 4142/4885MAPT 1171/4885LMNA 4190/4885

“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.

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