SCHEMBL18488808

SCHEMBL18488808

O=C(O)NC1CCC(COCCC(F)(F)F)CC1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.34
JAK1 P23458 2/20 0.34
TYK2 P29597 2/20 0.34
JAK3 P52333 2/20 0.34
PKM P14618 1/20 0.33
KMT2A Q03164 3/20 0.32
DRD3 P35462 7/20 0.32
DRD2 P14416 5/20 0.32
NAAA Q02083 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
EPHX1 P07099 1/20 0.31
SMYD3 Q9H7B4 1/20 0.30
PTGIR P43119 1/20 0.30
LIPG Q9Y5X9 1/20 0.30

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
SCHEMBL18488807 1.00 JAK2 (0.34) JAK2JAK1TYK2JAK3PKM
SCHEMBL18988064 0.80 KMT2A (0.34) KMT2ANAAAPOLBEPHX1PTGIR
SCHEMBL21069798 0.78 KMT2A (0.37) KMT2ANAAAMEN1POLBPTGIR
SCHEMBL21069362 0.78 KMT2A (0.37) KMT2ANAAAMEN1POLBPTGIR
SCHEMBL21071056 0.78 KMT2A (0.37) KMT2ANAAAMEN1POLBPTGIR
SCHEMBL20045227 0.78 ALDH1A1 (0.58) KMT2ADRD2MEN1ALDH1A1EPHX1
SCHEMBL18505654 0.78 ALDH1A1 (0.58) KMT2ADRD2MEN1ALDH1A1EPHX1
SCHEMBL21071259 0.77 NAAA (0.34) KMT2ANAAASMYD3PTGIR
SCHEMBL21071067 0.77 NAAA (0.34) KMT2ANAAASMYD3PTGIR
SCHEMBL21069939 0.77 NAAA (0.34) KMT2ANAAASMYD3PTGIR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10385052-B2 Tricyclic compound and JAK inhibitor NISSAN CHEMICAL CORPORATION (JP) 2019-08-20 US disclosed
EP-3144309-B1 TRICYCLIC COMPOUND AND JAK INHIBITOR NISSAN CHEMICAL CORP (JP) 2019-08-14 EP disclosed
US-20180099966-A1 TRICYCLIC COMPOUND AND JAK INHIBITOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-04-12 US disclosed
US-9890165-B2 Tricyclic compound and JAK inhibitor NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-02-13 US disclosed
EP-3144309-A1 TRICYCLIC COMPOUND AND JAK INHIBITOR Nissan Chemical Industries, Ltd. (JP) 2017-03-22 EP disclosed
US-20170044161-A1 TRICYCLIC COMPOUND AND JAK INHIBITOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-02-16 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 (3 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-20180099966-A1 TRICYCLIC COMPOUND AND JAK INHIBITOR JAK1, JAK3, JAK2 JAK2 3/4885JAK1 1/4885TYK2 11/4885
US-10385052-B2 Tricyclic compound and JAK inhibitor JAK1, JAK3, JAK2 JAK2 3/4885JAK1 1/4885TYK2 11/4885
US-20170044161-A1 TRICYCLIC COMPOUND AND JAK INHIBITOR JAK1, JAK3, JAK2 JAK2 3/4885JAK1 1/4885TYK2 13/4885

“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.