SCHEMBL2121002

SCHEMBL2121002

FC(F)(F)c1ccccc1-c1c[c]on1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.42
HSD11B1 P28845 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CNR2 P34972 1/20 0.40
KMO O15229 2/20 0.40
SCN9A Q15858 1/20 0.40
PSMB8 P28062 1/20 0.40
VCP P55072 1/20 0.39
MAOB P27338 2/20 0.39
MAOA P21397 1/20 0.39
ACP1 P24666 1/20 0.38
AR P10275 1/20 0.37
BACE1 P56817 1/20 0.37
C1R P00736 1/20 0.37
TRPA1 O75762 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL2122676 0.77 IDO1 (0.42) NOTUM
SCHEMBL2122470 0.73 IDO1 (0.42) MAOBMAOAC1RTSHR
SCHEMBL1896855 0.73 IDO1 (0.43) NOTUMHSD11B1CYP1A2CYP3A4CNR2
SCHEMBL30617323 0.73 KMO (0.46) NOTUMHSD11B1CYP1A2CYP3A4CNR2
SCHEMBL2123728 0.73 NPC1 (0.42) CYP1A2CYP3A4CNR2MAOBCYP2D6
SCHEMBL2121958 0.73 KMO (0.46) NOTUMHSD11B1CYP1A2CYP3A4CNR2
SCHEMBL197671 0.70 HSD11B1 (0.56) NOTUMHSD11B1CYP1A2CYP3A4PSMB8
SCHEMBL4317407 0.69 KIF11 (0.45) NOTUMMAOB
SCHEMBL15637413 0.69 NOTUM (0.43) NOTUMHSD11B1CYP1A2CYP3A4CNR2
SCHEMBL5552381 0.69 NOTUM (0.42) NOTUMHSD11B1CYP1A2CYP3A4SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7521453-B2 e.g. 5-Bromo-2-(3-methylisoxazol-5-ylmethylamino)-4-(5-cyclopropyl- 1H-pyrazol-3-ylamino)pyrimidine; anticarcinogenic, antitumor agents; breast, prostate, colon cancer ASTRAZENECA AB (SE) 2009-04-21 US claimed
EP-1456182-B1 PYRIMIDINE DERIVATIVES AS MODULATORS OF INSULINE-LIKE GROWTH FACTOR-1 RECEPTOR (IGF-I) ASTRAZENECA AB (SE) 2009-03-11 EP claimed
US-20050054638-A1 Pyrimidine derivatives as modulators of insulin-like growth factor-1 receptor (igf-i) ASTRAZENECA AB 2005-03-10 US claimed
EP-1456182-A1 PYRIMIDINE DERIVATIVES AS MODULATORS OF INSULINE-LIKE GROWTH FACTOR-1 RECEPTOR (IGF-I) AstraZeneca AB (SE) 2004-09-15 EP claimed
WO-2003048133-A1 PYRIMIDINE DERIVATIVES AS MODULATORS OF INSULINE-LIKE GROWTH FACTOR-1 RECEPTOR (IGF-I) ASTRAZENECA AB (SE) 2003-06-12 WO claimed
US-20120095011-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2012-04-19 US disclosed
US-20090131463-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2009-05-21 US disclosed
US-7521453-B2 e.g. 5-Bromo-2-(3-methylisoxazol-5-ylmethylamino)-4-(5-cyclopropyl- 1H-pyrazol-3-ylamino)pyrimidine; anticarcinogenic, antitumor agents; breast, prostate, colon cancer ASTRAZENECA AB (SE) 2009-04-21 US disclosed
EP-1456182-B1 PYRIMIDINE DERIVATIVES AS MODULATORS OF INSULINE-LIKE GROWTH FACTOR-1 RECEPTOR (IGF-I) ASTRAZENECA AB (SE) 2009-03-11 EP disclosed
US-20050054638-A1 Pyrimidine derivatives as modulators of insulin-like growth factor-1 receptor (igf-i) ASTRAZENECA AB 2005-03-10 US disclosed
EP-1456182-A1 PYRIMIDINE DERIVATIVES AS MODULATORS OF INSULINE-LIKE GROWTH FACTOR-1 RECEPTOR (IGF-I) AstraZeneca AB (SE) 2004-09-15 EP disclosed
WO-2003048133-A1 PYRIMIDINE DERIVATIVES AS MODULATORS OF INSULINE-LIKE GROWTH FACTOR-1 RECEPTOR (IGF-I) ASTRAZENECA AB (SE) 2003-06-12 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 (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-20090131463-A1 NOVEL COMPOUNDS C1R, TBXA2R, F12 NOTUM 4030/4885HSD11B1 1201/4885CYP1A2 64/4885
US-20120095011-A1 NOVEL COMPOUNDS C1R, TBXA2R, F12 NOTUM 4030/4885HSD11B1 1201/4885CYP1A2 64/4885
US-20050054638-A1 Pyrimidine derivatives as modulators of insulin-like growth factor-1 receptor (igf-i) IGF1R, IGFBP1, INSR NOTUM 4781/4885HSD11B1 4309/4885CYP1A2 2400/4885

“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.