SCHEMBL19998095

SCHEMBL19998095

CCc1ccc2ncc(C)n2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.41
GAA P10253 3/20 0.39
KDM4E B2RXH2 3/20 0.39
GLA P06280 1/20 0.39
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 1/20 0.36
POLB P06746 1/20 0.35
PDE10A Q9Y233 2/20 0.33
AKT1 P31749 1/20 0.32
AKT2 P31751 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
ADORA2A P29274 2/20 0.32
ADORA2B P29275 2/20 0.32
ADORA1 P30542 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 2/20 0.31
MAPT P10636 2/20 0.31
RAB9A P51151 2/20 0.31
CYP2D6 P10635 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL13745284 0.84 TGFBR1 (0.40) TGFBR1GAAKDM4EGLACYP1A2
SCHEMBL2177180 0.84 KEAP1 (0.46) TGFBR1GAAKDM4EGLACYP1A2
SCHEMBL24091996 0.81 TGFBR1 (0.39) TGFBR1GAAKDM4EGLACYP1A2
SCHEMBL23478476 0.80 POLB (0.41) GAAKDM4EGLACYP1A2CYP2C9
SCHEMBL10238918 0.76 CYP1A2 (0.56) TGFBR1GAAKDM4EGLACYP1A2
SCHEMBL19788243 0.75 POLB (0.66) TGFBR1GAAKDM4EGLAPOLB
SCHEMBL20844830 0.74 KIT (0.43) TGFBR1ADORA2AADORA2BADORA1MAPT
SCHEMBL18030746 0.74 TGFBR1 (0.50) TGFBR1
SCHEMBL17754846 0.73 TGFBR1 (0.43) TGFBR1GAAKDM4EGLACYP1A2
SCHEMBL12998303 0.73 PIK3CA (0.47) TGFBR1GAAKDM4ECYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180086764-A1 TGF-ß Inhibitors MIDCAP FINANCIAL TRUST 2018-03-29 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 (1 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-20180086764-A1 TGF-ß Inhibitors TGFBR1, TGFBR2, TGFB1 TGFBR1 1/4885GAA 1751/4885KDM4E 1222/4885

“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.