SCHEMBL21868482

SCHEMBL21868482

O=C(O)C1(F)CCN(c2ncccn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
CYP2C19 P33261 4/20 0.51
KDM4E B2RXH2 4/20 0.51
CYP3A4 P08684 7/20 0.50
CYP2C9 P11712 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
ALDH1A1 P00352 4/20 0.49
MAPK1 P28482 2/20 0.49
CYP2D6 P10635 4/20 0.49
CYP1A2 P05177 2/20 0.49
TSHR P16473 1/20 0.47
USP2 O75604 1/20 0.46
HSD17B10 Q99714 2/20 0.46
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL21867306 0.83 POLB (0.41) MEN1KMT2ACYP2C19KDM4ECYP3A4
Hydrochloric Acid SCHEMBL21800426 0.82 POLB (0.40) MEN1KMT2ACYP2C19KDM4ECYP3A4
SCHEMBL1292282 0.82 PANK3 (0.40) MEN1KMT2ACYP3A4CYP2C9SMN1; SMN2
SCHEMBL15416130 0.81 MEN1 (0.55) MEN1KMT2ACYP2C19KDM4ECYP3A4
SCHEMBL15416474 0.79 MEN1 (0.58) MEN1KMT2ACYP2C19KDM4ECYP3A4
SCHEMBL21868483 0.79 RIPK1 (0.53)
SCHEMBL30079990 0.77 CYP3A4 (0.56) MEN1KMT2ACYP2C19KDM4ECYP3A4
SCHEMBL21868480 0.77 RIPK1 (0.55)
SCHEMBL15416239 0.76 MEN1 (0.54) MEN1KMT2ACYP2C19KDM4ECYP3A4
SCHEMBL20565247 0.75 HSD17B10 (0.47) MEN1KMT2ACYP2C19KDM4ECYP3A4

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-11203600-B2 Kinase inhibitors and uses thereof DENALI THERAPEUTICS INC. (US) 2021-12-21 US disclosed
US-20200087319-A1 Kinase Inhibitors and Uses Thereof DENALI THERAPEUTICS INC. (US) 2020-03-19 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-20200087319-A1 Kinase Inhibitors and Uses Thereof MAP3K20, MAP3K6, MAP3K19 MEN1 2281/4885KMT2A 1686/4885CYP2C19 4172/4885
US-11203600-B2 Kinase inhibitors and uses thereof MAP3K20, MAP3K6, MAP3K19 MEN1 2281/4885KMT2A 1686/4885CYP2C19 4172/4885

“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.