SCHEMBL21884622

SCHEMBL21884622

N=C(N)NC(=O)c1c(O)ccc(-c2ccncc2)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
CHUK O15111 2/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
DYRK1A Q13627 2/20 0.35
CCNC P24863 5/20 0.35
CDK8 P49336 5/20 0.35
CYP46A1 Q9Y6A2 1/20 0.35
IKBKB O14920 1/20 0.34
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
HSD17B10 Q99714 2/20 0.34
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
BTK Q06187 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL21884599 0.76 HSD17B1 (0.35) HSD17B1HSD17B2
SCHEMBL21884588 0.73 CHUK (0.35) CHUKHSD17B10KDM4EALDH1A1TSHR
SCHEMBL21884393 0.73 MAP2K3 (0.51) CHUKPIM1PIM3PIM2ATR
SCHEMBL21884471 0.71 CHUK (0.66) CHUKIKBKB
SCHEMBL21884517 0.71 HSD17B1 (0.34) HSD17B1HSD17B2
SCHEMBL21884412 0.68 AKR1C2 (0.44) CHUKCDK2CCNCCDK8IKBKB
SCHEMBL21884596 0.65 CYP3A4 (0.39) KDM4EALDH1A1TSHR
SCHEMBL7110738 0.64 ALOX15 (0.48) HSD17B10KDM4EALDH1A1
SCHEMBL11900978 0.64 CA12 (0.48) HSD17B1HSD17B2HSD17B10AKR1C3AKR1C2
Hydrochloric Acid SCHEMBL7942166 0.64 HTT (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS JNANA THERAPEUTICS INC. 2021-12-02 US disclosed
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS JNANA THERAPEUTICS INC. 2021-12-02 US disclosed
US-20210299070-A1 METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY JNANA THERAPEUTICS INC. 2021-09-30 US disclosed
US-20210299070-A1 METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY JNANA THERAPEUTICS INC. 2021-09-30 US disclosed
WO-2020061473-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS JNANA THERAPEUTICS, INC. (US) 2020-03-26 WO 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-20210299070-A1 METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY SLC19A1, SLC1A5, SLC1A2 HSD17B1 1039/4885HSD17B2 1221/4885CHUK 3737/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 HSD17B1 4048/4885HSD17B2 4093/4885CHUK 3104/4885

“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.