SCHEMBL18306347

SCHEMBL18306347

N=Cc1cc(-c2ccc(N)nc2-c2cccc(C3CC3)c2)ccc1N

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 1/20 0.34
▸ BACE1 P56817 2/20 0.34
▸ ADORA2A P29274 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ NOTUM Q6P988 1/20 0.32
▸ TGFBR1 P36897 1/20 0.31
▸ CTSS P25774 1/20 0.30
▸ CTSK P43235 1/20 0.30
▸ DHFR P00374 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
SCHEMBL17177310 0.81 ADORA1 (0.42) ADORA2BBACE1ADORA2AADORA1
SCHEMBL17177309 0.81 DHODH (0.33) BACE1ADORA2AADORA1NOTUMDHFR
SCHEMBL15639036 0.76 DYRK1A (0.46) ADORA2BBACE1ADORA2AADORA1TGFBR1
SCHEMBL15637893 0.75 CDK5 (0.44) TGFBR1
SCHEMBL18306335 0.74 DHODH (0.38) TGFBR1
SCHEMBL17177314 0.74 DHODH (0.36) —
SCHEMBL18306301 0.74 DHODH (0.42) TGFBR1
SCHEMBL18306349 0.74 ADORA2B (0.41) ADORA2BBACE1TGFBR1
SCHEMBL18534840 0.70 HDAC1 (0.38) BACE1
SCHEMBL19661652 0.69 DHODH (0.38) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10858335-B2 2,3-Disubstituted pyridine compounds as TGF-β inhibitors and methods of use RIGEL PHARMACEUTICALS, INC. (US) 2020-12-08 — — US disclosed
US-20190284155-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use RIGEL PHARMACEUTICALS, INC. (US) 2019-09-19 — — US disclosed
US-10233170-B2 2,3-disubstituted pyridine compounds as TGF-beta inhibitors and methods of use RIGEL PHARMACEUTICALS, INC. (US) 2019-03-19 — — US disclosed
US-20170342048-A1 GDF-8 Inhibitors MIDCAP FINANCIAL TRUST 2017-11-30 — — US disclosed
US-20170342048-A1 GDF-8 Inhibitors MIDCAP FINANCIAL TRUST 2017-11-30 — — US disclosed
US-9518040-B2 GDF-8 inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2016-12-13 — — US disclosed
US-9518040-B2 GDF-8 inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2016-12-13 — — 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 (4 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-10233170-B2 2,3-disubstituted pyridine compounds as TGF-beta inhibitors and methods of use TGFBR1, TGFBR2, ACVR1 ADORA2B 1520/4885BACE1 1882/4885ADORA2A 1934/4885
US-20170342048-A1 GDF-8 Inhibitors MSTN, MYOF, CXCL8 ADORA2B 3044/4885BACE1 2588/4885ADORA2A 3415/4885
US-10858335-B2 2,3-Disubstituted pyridine compounds as TGF-β inhibitors and methods of use SMAD3, TGFBR1, TGFBR2 ADORA2B 2036/4885BACE1 2323/4885ADORA2A 1502/4885
US-20190284155-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use TGFBR2, ACVR1, TGFBR1 ADORA2B 1879/4885BACE1 2179/4885ADORA2A 1392/4885

“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.

Send feedback