SCHEMBL21884412

SCHEMBL21884412

N=C(N)NC(=O)c1cc(-c2ccncc2)cc(F)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
CHUK O15111 5/20 0.43
IKBKB O14920 5/20 0.42
PKMYT1 Q99640 2/20 0.39
IKBKE Q14164 2/20 0.39
ABCB1 P08183 2/20 0.38
ABCC1 P33527 1/20 0.37
RPS6KA3 P51812 1/20 0.37
ERN1 O75460 1/20 0.36
ROCK2 O75116 2/20 0.36
GSK3B P49841 2/20 0.36
CLK4 Q9HAZ1 2/20 0.36
RPS6KA5 O75582 1/20 0.36
RPS6KA4 O75676 1/20 0.36
PRKACA P17612 1/20 0.36
MAPK1 P28482 1/20 0.36
PRKX P51817 1/20 0.36
LIMK1 P53667 1/20 0.36
ROCK1 Q13464 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
SCHEMBL21884471 0.80 CHUK (0.66) CHUKIKBKBPKMYT1IKBKEERN1
SCHEMBL21884622 0.68 HSD17B1 (0.38) AKR1C2CHUKIKBKBPIM1CDK2
SCHEMBL21884646 0.67 CHUK (0.45) CHUKROCK2GSK3BCLK4PRKACA
SCHEMBL3386608 0.66 CHUK (0.68) CHUKIKBKBPKMYT1IKBKEROCK2
SCHEMBL27393236 0.66 NPC1 (0.62)
SCHEMBL21884644 0.65 PPIA (0.50)
Hydrochloric Acid SCHEMBL8393446 0.65 CES2 (0.52) MAPK1HDAC1
SCHEMBL21884442 0.65 PIK3CB (0.49) CHUKCCNCCDK8
SCHEMBL21884408 0.65 MKNK1 (0.58) CHUKERN1HDAC1
SCHEMBL21884393 0.65 MAP2K3 (0.51) CHUKROCK1CASP1CDC7PIM1

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 AKR1C2 451/4885AKR1C1 507/4885CHUK 3737/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 AKR1C2 4469/4885AKR1C1 4565/4885CHUK 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.