SCHEMBL20557008

SCHEMBL20557008

CC(=O)Nc1cnn(C(=O)N2CCN(Cc3cc(N4CCCC4)cc(C(F)(F)F)c3)CC2)c1

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ KDM4C Q9H3R0 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ POLB P06746 1/20 0.41
▸ MGLL Q99685 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
SCHEMBL21094331 0.89 FAAH (0.40) MGLL
SCHEMBL20556767 0.88 — —
SCHEMBL20557042 0.83 — —
SCHEMBL22350624 0.83 KDM4E (0.44) KDM4EALDH1A1KDM4CTDP1MGLL
SCHEMBL20503526 0.82 MGLL (0.49) KDM4EALDH1A1KDM4CTDP1MGLL
SCHEMBL20557033 0.82 FAAH (0.61) MGLL
SCHEMBL22350626 0.81 KDM4E (0.42) KDM4EALDH1A1KDM4CTDP1MGLL
SCHEMBL25829966 0.78 FAAH (0.57) MGLL
SCHEMBL17276630 0.77 KDM4E (0.49) KDM4EPOLB
SCHEMBL20557069 0.76 FAAH (0.62) ALDH1A1MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10323038-B2 Pyrazole compounds and methods of making and using same ABIDE THERAPEUTICS, INC. (US) 2019-06-18 — — US disclosed
US-10323038-B2 Pyrazole compounds and methods of making and using same ABIDE THERAPEUTICS, INC. (US) 2019-06-18 — — US disclosed
US-20180327416-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2018-11-15 — — 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 (2 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-20180327416-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME FAAH, FAAH2, MGLL KDM4E 3429/4885ALDH1A1 1378/4885KDM4C 3436/4885
US-10323038-B2 Pyrazole compounds and methods of making and using same FAAH, FAAH2, MGLL KDM4E 3429/4885ALDH1A1 1378/4885KDM4C 3436/4885

“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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