SCHEMBL18397259

SCHEMBL18397259

CCOC(=O)c1ccn2nc(Cl)nc(Oc3ccccc3)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
POLB P06746 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
MAPT P10636 3/20 0.46
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 2/20 0.45
GPR55 Q9Y2T6 2/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
LMNA P02545 1/20 0.43
MAP2K1 Q02750 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40

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
SCHEMBL20434753 0.85 PIN1 (0.37) CYP1A2L3MBTL1POLBCYP2C9CYP2C19
SCHEMBL18397340 0.85 MEN1 (0.42) MAPTALDH1A1KDM4ETDP1MEN1
SCHEMBL18414730 0.81 CYP1A2 (0.52) CYP1A2L3MBTL1POLBCYP2C9CYP2C19
SCHEMBL18414789 0.81 CYP1A2 (0.49) CYP1A2L3MBTL1POLBCYP2C9CYP2C19
SCHEMBL18397505 0.81 KMT2A (0.43) CYP1A2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL18414436 0.79 CYP1A2 (0.47) CYP1A2L3MBTL1POLBCYP2C9CYP2C19
SCHEMBL18397370 0.78 CYP1A2 (0.51) CYP1A2L3MBTL1POLBCYP2C9CYP2C19
SCHEMBL18397349 0.78 TGFBR1 (0.46) CYP1A2L3MBTL1POLBCYP2C9CYP2C19
SCHEMBL18397300 0.78 TGFBR1 (0.46) CYP1A2L3MBTL1POLBCYP2C9CYP2C19
SCHEMBL20423990 0.77 MAPT (0.47) CYP1A2L3MBTL1POLBCYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10336761-B2 TGFβ receptor antagonist BRISTOL-MYERS SQUIBB COMPANY (US) 2019-07-02 US disclosed
US-10336761-B2 TGFβ receptor antagonist BRISTOL-MYERS SQUIBB COMPANY (US) 2019-07-02 US disclosed
US-20180215761-A1 TGF BETA RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2018-08-02 US disclosed
US-20180215761-A1 TGF BETA RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2018-08-02 US disclosed
US-20180215761-A1 TGF BETA RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2018-08-02 US disclosed
EP-3325484-A1 TGF BETA RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2018-05-30 EP disclosed
WO-2017015425-A1 TGF BETA RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-01-26 WO disclosed
WO-2017015425-A1 TGF BETA RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-01-26 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-10336761-B2 TGFβ receptor antagonist TGFBR2, TGFBR1, SMAD2 CYP1A2 4436/4885L3MBTL1 1225/4885POLB 2678/4885
US-20180215761-A1 TGF BETA RECEPTOR ANTAGONISTS TGFBR2, TGFBR1, TGFB2 CYP1A2 4417/4885L3MBTL1 1086/4885POLB 2476/4885

“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.