SCHEMBL21868481

SCHEMBL21868481

O=C(O)C1(F)CCN(c2ncc(F)cn2)C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 8/20 0.41
HTR1A P08908 2/20 0.36
CYP2D6 P10635 3/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
PARP1 P09874 2/20 0.35
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SPR P35270 1/20 0.34

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 0.91 POLB (0.41) RIPK1HTR1ACYP2D6CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL21800426 0.89 POLB (0.40) RIPK1HTR1ACYP2D6CYP1A2CYP3A4
SCHEMBL20564560 0.83 RIPK1 (0.52) RIPK1HTR1ACYP2D6HSD17B10CYP1A2
SCHEMBL20565278 0.82 RIPK1 (0.49) RIPK1HTR1ACYP2D6HSD17B10CYP1A2
Hydrochloric Acid SCHEMBL20565293 0.81 RIPK1 (0.48) RIPK1HTR1ACYP2D6HSD17B10CYP1A2
SCHEMBL1292282 0.77 PANK3 (0.40) RIPK1HSD17B10CYP3A4ALDH1A1POLB
SCHEMBL20565610 0.77 MEN1 (0.40) RIPK1HTR1ACYP2D6CYP1A2CYP3A4
SCHEMBL21867414 0.76 RIPK1 (0.47) RIPK1HTR1ACYP2D6CYP1A2POLB
SCHEMBL21800392 0.75 RIPK1 (0.48) RIPK1HTR1ACYP2D6CYP1A2CYP3A4
SCHEMBL21868482 0.74 MEN1 (0.54) CYP2D6HSD17B10CYP1A2CYP3A4ALDH1A1

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 RIPK1 353/4885HTR1A 4610/4885CYP2D6 3745/4885
US-11203600-B2 Kinase inhibitors and uses thereof MAP3K20, MAP3K6, MAP3K19 RIPK1 353/4885HTR1A 4610/4885CYP2D6 3745/4885

“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.