SCHEMBL22314902

SCHEMBL22314902

O=c1oc2cnc(-c3ccc(OC(F)(F)F)cc3)cc2n1CC(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 8/20 0.41
TNIK Q9UKE5 1/20 0.40
NOTUM Q6P988 1/20 0.38
PRKDC P78527 1/20 0.36
CHRM5 P08912 1/20 0.36
SCN5A Q14524 1/20 0.36
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
CYP1A2 P05177 1/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL25865038 0.91 TNIK (0.39) TNIKNOTUMPRKDCCHRM5SCN5A
SCHEMBL22314496 0.82 TSPO (0.43) SCN5A
SCHEMBL22314476 0.80 CA12 (0.44) METAP2TNIKNOTUMCHRM5SCN5A
SCHEMBL22314548 0.78 SCN5A (0.43) TNIKNOTUMPRKDCSCN5AMAPT
SCHEMBL25865003 0.74 TSPO (0.47)
SCHEMBL22314460 0.72 ALDH1A1 (0.43) CHRM5MAPT
SCHEMBL22314564 0.72 TNIK (0.48) TNIKCHRM5
SCHEMBL22314463 0.72 CYP1A2 (0.39) MAPTCYP1A2
SCHEMBL24024514 0.71 TDO2 (0.42) SCN5AMAPTCYP1A2CA12CA9
SCHEMBL22314474 0.71 KMO (0.46) MAPT

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-20230219938-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PREC MEDICINES INC (US) 2023-07-13 US disclosed
US-20230219938-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PREC MEDICINES INC (US) 2023-07-13 US disclosed
US-20200247793-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2020-08-06 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-20200247793-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B METAP2 1555/4885TNIK 3273/4885NOTUM 1669/4885
US-20230219938-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B METAP2 1555/4885TNIK 3273/4885NOTUM 1669/4885

“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.