SCHEMBL4735355

SCHEMBL4735355

O=Cc1cccnc1Oc1ccc(F)c(C(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
RAB9A P51151 1/20 0.40
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
NAPRT Q6XQN6 1/20 0.40
PPARG P37231 2/20 0.39
P2RY1 P47900 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PYGL P06737 1/20 0.39
PYGM P11217 1/20 0.39
P2RX3 P56373 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL4733431 0.79 BACE1 (0.44) ADRB1ADRB3RAB9ACARM1PRMT6
SCHEMBL6460814 0.78 CARM1 (0.52) RAB9ACARM1PRMT6NAPRTKMT2A
SCHEMBL6142808 0.77 KMT2A (0.46) P2RY1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL26602991 0.75 KDM4E (0.45) NAPRTTDP1LMNASMN1; SMN2
SCHEMBL20523025 0.75 DHODH (0.47) ADRB1ADRB3NAPRTPPARGPYGL
SCHEMBL4993422 0.75 KMT2A (0.55) RAB9AP2RY1KMT2ATDP1ALDH1A1
SCHEMBL2336921 0.74 RAB9A (0.54) ADRB3RAB9ANAPRTKMT2ATDP1
SCHEMBL9040386 0.74 LMNA (0.47) PPARGP2RY1KMT2ATDP1ALDH1A1
SCHEMBL30703391 0.74 RAB9A (0.56) RAB9AKMT2ATDP1ALDH1A1LMNA
SCHEMBL4732997 0.74 ADRB1 (0.39) ADRB1ADRB3RAB9ACARM1PRMT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822514-B2 Multi-cyclic compounds and methods of use AMGEN INC. (US) 2014-09-02 US disclosed
US-20120245206-A1 MULTI-CYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2012-09-27 US disclosed
US-8236823-B2 Multi-cyclic compounds and methods of use AMGEN INC. (US) 2012-08-07 US disclosed
US-20080255205-A1 protein kinase receptors (like Tie-2 and Aurora) modulators; to treat cancer, inflammation and related disorders; to regulate active angiogenesis, cell-signal transduction; 5-(3-(1H-tetrazol-5-yl)pyridin-2-yloxy)-N-(3-chlorobenzyl)-2-fluorobenzamide AMGEN INC. (US) 2008-10-16 US disclosed
WO-2008057280-A1 MULTI-CYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2008-05-15 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-20120245206-A1 MULTI-CYCLIC COMPOUNDS AND METHODS OF USE TIE1, FLT4, CDK1 ADRB1 1007/4885ADRB3 1174/4885RAB9A 3516/4885
US-20080255205-A1 protein kinase receptors (like Tie-2 and Aurora) modulators; to treat cancer, inflammation and related disorders; to regulate active angiogenesis, cell-signal transduction; 5-(3-(1H-tetrazol-5-yl)pyridin-2-yloxy)-N-(3-chlorobenzyl)-2-fluorobenzamide TIE1, AURKB, TEK ADRB1 834/4885ADRB3 1224/4885RAB9A 3497/4885

“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.