SCHEMBL21139637

SCHEMBL21139637

CC(C)c1ncc(C(C)(C)F)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
MAPK1 P28482 1/20 0.47
GAA P10253 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 3/20 0.43
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 2/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HTT P42858 2/20 0.40
PKM P14618 1/20 0.40
KDM4E B2RXH2 2/20 0.39

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
SCHEMBL9967732 0.87 KMT2A (0.61) KMT2AMAPK1GAASMN1; SMN2RAB9A
SCHEMBL21419053 0.82 KMT2A (0.46) KMT2AMAPK1GAASMN1; SMN2RAB9A
SCHEMBL21419159 0.76 HTT (0.40) KMT2AMAPK1GAASMN1; SMN2RAB9A
SCHEMBL3370446 0.74 KMT2A (0.58) KMT2AMAPK1GAASMN1; SMN2RAB9A
SCHEMBL28895677 0.74 KMT2A (0.62) KMT2AMAPK1GAASMN1; SMN2RAB9A
SCHEMBL21139639 0.73 KMT2A (0.36) KMT2AMAPK1GAASMN1; SMN2RAB9A
SCHEMBL2609312 0.72 LMNA (0.44) KMT2AMAPK1SMN1; SMN2MEN1LMNA
SCHEMBL14920646 0.71 KMT2A (0.56) KMT2AMAPK1GAASMN1; SMN2RAB9A
SCHEMBL10192289 0.71 KMT2A (0.56) KMT2AMAPK1GAASMN1; SMN2RAB9A
SCHEMBL12248259 0.71 CCR1 (0.35) KMT2AMAPK1GAASMN1; SMN2RAB9A

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-10828285-B2 Diaryl substituted 6,5-fused ring compounds as C5aR inhibitors CHEMOCENTRYX, INC. (US) 2020-11-10 US disclosed
WO-2019195159-A1 PRODRUGS OF FUSED-BICYCLIC C5aR ANTAGONISTS CHEMOCENTRYX, INC. (US) 2019-10-10 WO disclosed
US-20190192491-A1 DIARYL SUBSTITUTED 6,5-FUSED RING COMPOUNDS AS C5aR INHIBITORS CHEMOCENTRYX, INC. 2019-06-27 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-20190192491-A1 DIARYL SUBSTITUTED 6,5-FUSED RING COMPOUNDS AS C5aR INHIBITORS C5AR1, C5AR2, C3AR1 KMT2A 4588/4885MAPK1 2393/4885GAA 4587/4885
US-10828285-B2 Diaryl substituted 6,5-fused ring compounds as C5aR inhibitors C5AR1, C5AR2, C3AR1 KMT2A 4588/4885MAPK1 2393/4885GAA 4587/4885

“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.