SCHEMBL18876832

SCHEMBL18876832

CCN(Cc1ccnc(Cl)c1)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOX P28300 2/20 0.47
▸ LOXL2 Q9Y4K0 2/20 0.47
▸ RECQL P46063 1/20 0.47
▸ LOXL3 P58215 1/20 0.47
▸ GRM5 P41594 1/20 0.37
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ NOS3 P29474 1/20 0.36
▸ NOS1 P29475 1/20 0.36
▸ NOS2 P35228 1/20 0.36

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
SCHEMBL18876636 0.82 KCNQ2 (0.39) LOXLOXL2GRM5HDAC4HDAC1
SCHEMBL20892138 0.79 NOS3 (0.44) LOXLOXL2CYP2D6CYP1A2NOS3
SCHEMBL17286036 0.78 RECQL (0.52) LOXLOXL2RECQLLOXL3GRM5
SCHEMBL805501 0.77 — —
SCHEMBL10240740 0.75 HSD17B10 (0.41) LOXL2RECQLCYP2D6CYP1A2CYP3A4
SCHEMBL938454 0.75 RECQL (0.57) LOXLOXL2RECQLLOXL3GRM5
SCHEMBL29944477 0.75 RECQL (0.57) LOXLOXL2RECQLLOXL3GRM5
SCHEMBL17282039 0.74 RECQL (0.47) LOXLOXL2RECQLLOXL3GRM5
Methylene Chloride SCHEMBL28291344 0.73 RECQL (0.59) LOXLOXL2RECQLLOXL3GRM5
SCHEMBL10159790 0.72 RECQL (0.57) LOXLOXL2RECQLLOXL3GRM5

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-20190322661-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-10-24 — — US disclosed
US-20170145020-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-05-25 — — 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-20190322661-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 LOX 1345/4885LOXL2 2651/4885RECQL 2074/4885
US-20170145020-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 LOX 1345/4885LOXL2 2651/4885RECQL 2074/4885

“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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